4-chloranyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-chloranyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 4-chloro-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 4-chloro-2-[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-chloro-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 4-chloro-2-[[(E)-3-(4-nitrophenyl)acryloyl]amino]benzoic acid Formula: C16H11ClN2O5 MolecularWeight: 346.72194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)NC2=C(C=CC(=C2)Cl)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN2O5/c17-11-4-7-13(16(21)22)14(9-11)18-15(20)8-3-10-1-5-12(6-2-10)19(23)24/h1-9H,(H,18,20)(H,21,22)/b8-3+