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

Systemtic Name: methyl 4-[(2-methoxy-5-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-(2-methoxy-5-nitro-anilino)-4-oxo-butanoate CAS Name: 4-(2-methoxy-5-nitroanilino)-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(2-methoxy-5-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(2-methoxy-5-nitro-anilino)butyric acid methyl ester Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCC(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCC(=O)OC

InChI

InChI=1S/C12H14N2O6/c1-19-10-4-3-8(14(17)18)7-9(10)13-11(15)5-6-12(16)20-2/h3-4,7H,5-6H2,1-2H3,(H,13,15)