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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O5/c1-11-9-13(17(21)22)6-7-15(11)18-16(20)8-5-12-3-2-4-14(10-12)19(23)24/h2-10H,1H3,(H,18,20)(H,21,22)/b8-5+