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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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