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

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-ethoxy-4-propoxy-benzoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 3-ethoxy-4-propoxy-benzoate CAS Name: 3-ethoxy-4-propoxybenzoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate Traditional Name: 3-ethoxy-4-propoxy-benzoic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C20H22N2O7 MolecularWeight: 402.39788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O7/c1-3-10-28-17-9-8-14(11-18(17)27-4-2)20(24)29-13-19(23)21-15-6-5-7-16(12-15)22(25)26/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,21,23)