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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NN2C(=CC=C2C3=CC=C(C=C3)Br)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NN2C(=CC=C2C3=CC=C(C=C3)Br)CCC(=O)O)[N+](=O)[O-]

InChI

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