methyl 4-[(3-methoxy-3-oxidanylidene-propyl)amino]-3-nitro-benzoate

Systemtic Name: methyl 4-[(3-methoxy-3-oxidanylidene-propyl)amino]-3-nitro-benzoate Openeye Name: methyl 4-[(3-methoxy-3-oxo-propyl)amino]-3-nitro-benzoate CAS Name: 4-[(3-methoxy-3-oxopropyl)amino]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(3-methoxy-3-oxopropyl)amino]-3-nitrobenzoate Traditional Name: 4-[(3-keto-3-methoxy-propyl)amino]-3-nitro-benzoic acid methyl ester Formula: C12H14N2O6 MolecularWeight: 282.24936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCNC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

InChI

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