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

Systemtic Name: [2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [2-(4-methoxycarbonylanilino)-2-oxo-ethyl] 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [2-(4-methoxycarbonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxycarbonylanilino)-2-oxoethyl] 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [2-(4-carbomethoxyanilino)-2-keto-ethyl] ester Formula: C21H22BrNO7 MolecularWeight: 480.30588

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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)C(=O)OC)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)OC)OC

InChI

InChI=1S/C21H22BrNO7/c1-4-9-29-19-16(22)10-14(11-17(19)27-2)21(26)30-12-18(24)23-15-7-5-13(6-8-15)20(25)28-3/h5-8,10-11H,4,9,12H2,1-3H3,(H,23,24)