2-[[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)amino]ethanoic acid

Systemtic Name: 2-[[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)amino]ethanoic acid Openeye Name: 2-[benzyl-[2-(3-nitroanilino)-2-oxo-ethyl]amino]acetic acid CAS Name: 2-[[2-(3-nitroanilino)-2-oxoethyl]-(phenylmethyl)amino]acetic acid IUPAC Name: 2-[benzyl-[2-(3-nitroanilino)-2-oxoethyl]amino]acetic acid Traditional Name: 2-[benzyl-[2-keto-2-(3-nitroanilino)ethyl]amino]acetic acid Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C17H17N3O5/c21-16(18-14-7-4-8-15(9-14)20(24)25)11-19(12-17(22)23)10-13-5-2-1-3-6-13/h1-9H,10-12H2,(H,18,21)(H,22,23)