(3-nitrobenzoyl)alanine

Properties Image MNX_ID MNXM31034 reference metacycM:CPD-11569 formula C10H10N2O5 global charge 0 mol weight 238.199 InChIKey KBJZPNMDKSNLIZ-UHFFFAOYSA-N InChI InChI=1S/C10H10N2O5/c11-8(10(14)15)5-9(13)6-2-1-3-7(4-6)12(16)17/h1-4,8H,5,11H2,(H,14,15) SMILES [NH3+]C(CC(=O)C1=CC([N+](=O)[O-])=CC=C1)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C10H10N2O5/c11-8(10(14)15)5-9(13)6-2-1-3-7(4-6)12(16)17/h1-4,8H,5,11H2,(H,14,15)/t8? SMILES (mnx) [CH:1]1=[CH:2][C:6]([C:9]([CH2:5][CH:8]([C:10](=[O:14])[OH:15])[NH2:11])=[O:13])=[CH:4][C:7]([N+:12]([O-:16])=[O:17])=[CH:3]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0