[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-methoxy-4-propoxy-benzoate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-methoxy-4-propoxy-benzoate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 3-methoxy-4-propoxy-benzoate CAS Name: 3-methoxy-4-propoxybenzoic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 3-methoxy-4-propoxybenzoate Traditional Name: 3-methoxy-4-propoxy-benzoic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C19H20N2O7 MolecularWeight: 388.3713

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C19H20N2O7/c1-3-10-27-16-9-4-13(11-17(16)26-2)19(23)28-12-18(22)20-14-5-7-15(8-6-14)21(24)25/h4-9,11H,3,10,12H2,1-2H3,(H,20,22)