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

Systemtic Name: phenethyl 4-[(2-methoxy-5-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-(2-methoxy-5-nitro-anilino)-4-oxo-butanoate CAS Name: 4-(2-methoxy-5-nitroanilino)-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-(2-methoxy-5-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(2-methoxy-5-nitro-anilino)butyric acid phenethyl ester Formula: C19H20N2O6 MolecularWeight: 372.3719

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C19H20N2O6/c1-26-17-8-7-15(21(24)25)13-16(17)20-18(22)9-10-19(23)27-12-11-14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H,20,22)