[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C19H19BrN2O7 MolecularWeight: 467.26736

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C19H19BrN2O7/c1-3-8-28-18-15(20)9-12(10-16(18)27-2)19(24)29-11-17(23)21-13-4-6-14(7-5-13)22(25)26/h4-7,9-10H,3,8,11H2,1-2H3,(H,21,23)