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

Systemtic Name: ethyl 4-[(2-methoxy-5-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-(2-methoxy-5-nitro-anilino)-4-oxo-butanoate CAS Name: 4-(2-methoxy-5-nitroanilino)-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(2-methoxy-5-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(2-methoxy-5-nitro-anilino)butyric acid ethyl ester Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC

InChI

InChI=1S/C13H16N2O6/c1-3-21-13(17)7-6-12(16)14-10-8-9(15(18)19)4-5-11(10)20-2/h4-5,8H,3,6-7H2,1-2H3,(H,14,16)