2-[[5-[(Z)-C-(4-methylphenyl)-N-oxidanyl-carbonimidoyl]-2-nitro-phenyl]methylamino]ethanoic acid

Systemtic Name: 2-[[5-[(Z)-C-(4-methylphenyl)-N-oxidanyl-carbonimidoyl]-2-nitro-phenyl]methylamino]ethanoic acid Openeye Name: 2-[[5-[(Z)-N-hydroxy-C-(p-tolyl)carbonimidoyl]-2-nitro-phenyl]methylamino]acetic acid CAS Name: 2-[[5-[(Z)-hydroxyimino-(4-methylphenyl)methyl]-2-nitrophenyl]methylamino]acetic acid IUPAC Name: 2-[[5-[(Z)-N-hydroxy-C-(4-methylphenyl)carbonimidoyl]-2-nitrophenyl]methylamino]acetic acid Traditional Name: 2-[[2-nitro-5-[(Z)-p-tolylcarbohydroximoyl]benzyl]amino]acetic acid Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=NO)C2=CC(=C(C=C2)[N+](=O)[O-])CNCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)/C(=N/O)/C2=CC(=C(C=C2)[N+](=O)[O-])CNCC(=O)O

InChI

InChI=1S/C17H17N3O5/c1-11-2-4-12(5-3-11)17(19-23)13-6-7-15(20(24)25)14(8-13)9-18-10-16(21)22/h2-8,18,23H,9-10H2,1H3,(H,21,22)/b19-17-