3-methyl-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 3-methyl-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-3-methyl-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-hydroxy-3-methyl-5-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-hydroxy-3-methyl-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-hydroxy-3-methyl-5-[[(E)-3-(3-nitrophenyl)acryloyl]amino]benzoic acid Formula: C17H14N2O6 MolecularWeight: 342.30286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)O

Isomeric SMILES

CC1=C(C(=CC(=C1)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)O

InChI

InChI=1S/C17H14N2O6/c1-10-7-12(9-14(16(10)21)17(22)23)18-15(20)6-5-11-3-2-4-13(8-11)19(24)25/h2-9,21H,1H3,(H,18,20)(H,22,23)/b6-5+