[2-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate

Systemtic Name: [2-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate Openeye Name: [2-[[2-(2-bromoanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [2-[[2-(2-bromoanilino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C21H18BrN3O4 MolecularWeight: 456.28932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CNC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=C3)Br

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CNC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=C3)Br

InChI

InChI=1S/C21H18BrN3O4/c22-17-5-1-2-6-18(17)24-19(26)13-23-20(27)14-29-21(28)15-7-9-16(10-8-15)25-11-3-4-12-25/h1-12H,13-14H2,(H,23,27)(H,24,26)