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

Systemtic Name: 3-[[(E)-2-methyl-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[(E)-2-methyl-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[(E)-2-methyl-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[(E)-2-methyl-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[(E)-2-methyl-3-(4-nitrophenyl)acryloyl]amino]benzoic acid Formula: C17H14N2O5 MolecularWeight: 326.30346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O5/c1-11(9-12-5-7-15(8-6-12)19(23)24)16(20)18-14-4-2-3-13(10-14)17(21)22/h2-10H,1H3,(H,18,20)(H,21,22)/b11-9+