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

Systemtic Name: 3-[[3-(4-chloranyl-3-nitro-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-(4-chloro-3-nitro-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-(4-chloro-3-nitrophenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-(4-chloro-3-nitrophenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-(4-chloro-3-nitro-phenyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C17H10ClN3O5 MolecularWeight: 371.7314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C(=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C#N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C(=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C#N)C(=O)O

InChI

InChI=1S/C17H10ClN3O5/c18-14-5-4-10(7-15(14)21(25)26)6-12(9-19)16(22)20-13-3-1-2-11(8-13)17(23)24/h1-8H,(H,20,22)(H,23,24)