3-[1-[(2-bromophenyl)carbonylamino]-5-phenyl-pyrrol-2-yl]propanoate

Systemtic Name: 3-[1-[(2-bromophenyl)carbonylamino]-5-phenyl-pyrrol-2-yl]propanoate Openeye Name: 3-[1-[(2-bromobenzoyl)amino]-5-phenyl-pyrrol-2-yl]propanoate CAS Name: 3-[1-[[(2-bromophenyl)-oxomethyl]amino]-5-phenyl-2-pyrrolyl]propanoate IUPAC Name: 3-[1-[(2-bromobenzoyl)amino]-5-phenylpyrrol-2-yl]propanoate Traditional Name: 3-[1-[(2-bromobenzoyl)amino]-5-phenyl-pyrrol-2-yl]propionate Formula: C20H16BrN2O3- MolecularWeight: 412.25664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(N2NC(=O)C3=CC=CC=C3Br)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(N2NC(=O)C3=CC=CC=C3Br)CCC(=O)[O-]

InChI

InChI=1S/C20H17BrN2O3/c21-17-9-5-4-8-16(17)20(26)22-23-15(11-13-19(24)25)10-12-18(23)14-6-2-1-3-7-14/h1-10,12H,11,13H2,(H,22,26)(H,24,25)/p-1