2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-5-oxidanyl-benzoic acid

Systemtic Name: 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-5-oxidanyl-benzoic acid Openeye Name: 5-hydroxy-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 5-hydroxy-2-[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 5-hydroxy-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 5-hydroxy-2-[[(E)-3-(4-nitrophenyl)acryloyl]amino]benzoic acid Formula: C16H12N2O6 MolecularWeight: 328.27628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)NC2=C(C=C(C=C2)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O6/c19-12-6-7-14(13(9-12)16(21)22)17-15(20)8-3-10-1-4-11(5-2-10)18(23)24/h1-9,19H,(H,17,20)(H,21,22)/b8-3+