methyl 4-[(4-methoxy-3,5-dinitro-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(4-methoxy-3,5-dinitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-(4-methoxy-3,5-dinitro-anilino)-4-oxo-butanoate CAS Name: 4-(4-methoxy-3,5-dinitroanilino)-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(4-methoxy-3,5-dinitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(4-methoxy-3,5-dinitro-anilino)butyric acid methyl ester Formula: C12H13N3O8 MolecularWeight: 327.24692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O8/c1-22-11(17)4-3-10(16)13-7-5-8(14(18)19)12(23-2)9(6-7)15(20)21/h5-6H,3-4H2,1-2H3,(H,13,16)