[2-[(5-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-[(phenylmethyl)amino]butanoate

Systemtic Name: [2-[(5-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-[(phenylmethyl)amino]butanoate Openeye Name: [2-(5-methoxy-2-nitro-anilino)-2-oxo-ethyl] 4-(benzylamino)-4-oxo-butanoate CAS Name: 4-oxo-4-[(phenylmethyl)amino]butanoic acid [2-(5-methoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-methoxy-2-nitroanilino)-2-oxoethyl] 4-(benzylamino)-4-oxobutanoate Traditional Name: 4-(benzylamino)-4-keto-butyric acid [2-keto-2-(5-methoxy-2-nitro-anilino)ethyl] ester Formula: C20H21N3O7 MolecularWeight: 415.39664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O7/c1-29-15-7-8-17(23(27)28)16(11-15)22-19(25)13-30-20(26)10-9-18(24)21-12-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3,(H,21,24)(H,22,25)