4-[[4-[(2-bromophenyl)carbonylamino]-2,5-diethoxy-phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[(2-bromophenyl)carbonylamino]-2,5-diethoxy-phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[(2-bromobenzoyl)amino]-2,5-diethoxy-anilino]-4-oxo-butanoic acid CAS Name: 4-[4-[[(2-bromophenyl)-oxomethyl]amino]-2,5-diethoxyanilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[(2-bromobenzoyl)amino]-2,5-diethoxyanilino]-4-oxobutanoic acid Traditional Name: 4-[4-[(2-bromobenzoyl)amino]-2,5-diethoxy-anilino]-4-keto-butyric acid Formula: C21H23BrN2O6 MolecularWeight: 479.32112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2Br)OCC)NC(=O)CCC(=O)O

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2Br)OCC)NC(=O)CCC(=O)O

InChI

InChI=1S/C21H23BrN2O6/c1-3-29-17-12-16(24-21(28)13-7-5-6-8-14(13)22)18(30-4-2)11-15(17)23-19(25)9-10-20(26)27/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,23,25)(H,24,28)(H,26,27)