methyl 4-[(2-methyl-3-nitro-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(2-methyl-3-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-(2-methyl-3-nitro-anilino)-4-oxo-butanoate CAS Name: 4-(2-methyl-3-nitroanilino)-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(2-methyl-3-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(2-methyl-3-nitro-anilino)butyric acid methyl ester Formula: C12H14N2O5 MolecularWeight: 266.24996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCC(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCC(=O)OC

InChI

InChI=1S/C12H14N2O5/c1-8-9(4-3-5-10(8)14(17)18)13-11(15)6-7-12(16)19-2/h3-5H,6-7H2,1-2H3,(H,13,15)