3-[5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzimidazol-1-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzimidazol-1-yl]-3-phenyl-propanoic acid Openeye Name: 3-[5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzimidazol-1-yl]-3-phenyl-propanoic acid CAS Name: 3-[5-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-1-benzimidazolyl]-3-phenylpropanoic acid IUPAC Name: 3-[5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzimidazol-1-yl]-3-phenylpropanoic acid Traditional Name: 3-[5-[[(E)-3-(3-nitrophenyl)acryloyl]amino]benzimidazol-1-yl]-3-phenyl-propionic acid Formula: C25H20N4O5 MolecularWeight: 456.4501

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)N2C=NC3=C2C=CC(=C3)NC(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)N2C=NC3=C2C=CC(=C3)NC(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H20N4O5/c30-24(12-9-17-5-4-8-20(13-17)29(33)34)27-19-10-11-22-21(14-19)26-16-28(22)23(15-25(31)32)18-6-2-1-3-7-18/h1-14,16,23H,15H2,(H,27,30)(H,31,32)/b12-9+