4-[[(Z)-3-(4-chloranyl-3-nitro-phenyl)-3-phenyl-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[(Z)-3-(4-chloranyl-3-nitro-phenyl)-3-phenyl-prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(Z)-3-(4-chloro-3-nitro-phenyl)-3-phenyl-prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(Z)-3-(4-chloro-3-nitrophenyl)-1-oxo-3-phenylprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(Z)-3-(4-chloro-3-nitrophenyl)-3-phenylprop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(Z)-3-(4-chloro-3-nitro-phenyl)-3-phenyl-acryloyl]amino]benzoic acid Formula: C22H15ClN2O5 MolecularWeight: 422.8179

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15ClN2O5/c23-19-11-8-16(12-20(19)25(29)30)18(14-4-2-1-3-5-14)13-21(26)24-17-9-6-15(7-10-17)22(27)28/h1-13H,(H,24,26)(H,27,28)/b18-13-