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

Systemtic Name: 3-[[(E)-2-acetamido-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[(E)-2-acetamido-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[(E)-2-acetamido-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[(E)-2-acetamido-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[(E)-2-acetamido-3-(4-nitrophenyl)acryloyl]amino]benzoic acid Formula: C18H15N3O6 MolecularWeight: 369.3282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O6/c1-11(22)19-16(9-12-5-7-15(8-6-12)21(26)27)17(23)20-14-4-2-3-13(10-14)18(24)25/h2-10H,1H3,(H,19,22)(H,20,23)(H,24,25)/b16-9+