3,5-bis[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3,5-bis[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3,5-bis[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3,5-bis[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3,5-bis[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3,5-bis[[(E)-3-(4-nitrophenyl)acryloyl]amino]benzoic acid Formula: C25H18N4O8 MolecularWeight: 502.43242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H18N4O8/c30-23(11-5-16-1-7-21(8-2-16)28(34)35)26-19-13-18(25(32)33)14-20(15-19)27-24(31)12-6-17-3-9-22(10-4-17)29(36)37/h1-15H,(H,26,30)(H,27,31)(H,32,33)/b11-5+,12-6+