4-[(2-chloranyl-5-nitro-phenyl)amino]-4-oxidanylidene-2-[(phenylmethyl)amino]butanoic acid

Systemtic Name: 4-[(2-chloranyl-5-nitro-phenyl)amino]-4-oxidanylidene-2-[(phenylmethyl)amino]butanoic acid Openeye Name: 2-(benzylamino)-4-(2-chloro-5-nitro-anilino)-4-oxo-butanoic acid CAS Name: 4-(2-chloro-5-nitroanilino)-4-oxo-2-[(phenylmethyl)amino]butanoic acid IUPAC Name: 2-(benzylamino)-4-(2-chloro-5-nitroanilino)-4-oxobutanoic acid Traditional Name: 2-(benzylamino)-4-(2-chloro-5-nitro-anilino)-4-keto-butyric acid Formula: C17H16ClN3O5 MolecularWeight: 377.77904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O5/c18-13-7-6-12(21(25)26)8-14(13)20-16(22)9-15(17(23)24)19-10-11-4-2-1-3-5-11/h1-8,15,19H,9-10H2,(H,20,22)(H,23,24)