methyl 4-(4-azanyl-3-nitro-phenyl)-3-methyl-4-oxidanylidene-butanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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