3-[5-(4-bromophenyl)-1-[(4-nitrophenyl)carbonylamino]pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[5-(4-bromophenyl)-1-[(4-nitrophenyl)carbonylamino]pyrrol-2-yl]propanoic acid Openeye Name: 3-[5-(4-bromophenyl)-1-[(4-nitrobenzoyl)amino]pyrrol-2-yl]propanoic acid CAS Name: 3-[5-(4-bromophenyl)-1-[[(4-nitrophenyl)-oxomethyl]amino]-2-pyrrolyl]propanoic acid IUPAC Name: 3-[5-(4-bromophenyl)-1-[(4-nitrobenzoyl)amino]pyrrol-2-yl]propanoic acid Traditional Name: 3-[5-(4-bromophenyl)-1-[(4-nitrobenzoyl)amino]pyrrol-2-yl]propionic acid Formula: C20H16BrN3O5 MolecularWeight: 458.26214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(N2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CCC(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(N2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CCC(=O)O)Br

InChI

InChI=1S/C20H16BrN3O5/c21-15-5-1-13(2-6-15)18-11-9-16(10-12-19(25)26)23(18)22-20(27)14-3-7-17(8-4-14)24(28)29/h1-9,11H,10,12H2,(H,22,27)(H,25,26)