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

Systemtic Name: 4-[[[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]amino]methyl]benzoic acid Openeye Name: 4-[[[(E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoyl]amino]methyl]benzoic acid CAS Name: 4-[[[(E)-3-(4-chloro-3-nitrophenyl)-1-oxoprop-2-enyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[(E)-3-(4-chloro-3-nitro-phenyl)acryloyl]amino]methyl]benzoic acid Formula: C17H13ClN2O5 MolecularWeight: 360.74852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H13ClN2O5/c18-14-7-3-11(9-15(14)20(24)25)4-8-16(21)19-10-12-1-5-13(6-2-12)17(22)23/h1-9H,10H2,(H,19,21)(H,22,23)/b8-4+