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

Systemtic Name: 4-[(2-methoxy-5-nitro-phenyl)amino]-4-oxidanylidene-2-[(phenylmethyl)amino]butanoic acid Openeye Name: 2-(benzylamino)-4-(2-methoxy-5-nitro-anilino)-4-oxo-butanoic acid CAS Name: 4-(2-methoxy-5-nitroanilino)-4-oxo-2-[(phenylmethyl)amino]butanoic acid IUPAC Name: 2-(benzylamino)-4-(2-methoxy-5-nitroanilino)-4-oxobutanoic acid Traditional Name: 2-(benzylamino)-4-keto-4-(2-methoxy-5-nitro-anilino)butyric acid Formula: C18H19N3O6 MolecularWeight: 373.35996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC(C(=O)O)NCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC(C(=O)O)NCC2=CC=CC=C2

InChI

InChI=1S/C18H19N3O6/c1-27-16-8-7-13(21(25)26)9-14(16)20-17(22)10-15(18(23)24)19-11-12-5-3-2-4-6-12/h2-9,15,19H,10-11H2,1H3,(H,20,22)(H,23,24)