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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN2O5/c17-13-6-5-11(16(21)22)9-14(13)18-15(20)7-4-10-2-1-3-12(8-10)19(23)24/h1-9H,(H,18,20)(H,21,22)/b7-4+