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

Systemtic Name: 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]terephthalic acid Openeye Name: 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]terephthalic acid CAS Name: 2-[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]terephthalic acid IUPAC Name: 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]terephthalic acid Traditional Name: 2-[[(E)-3-(4-nitrophenyl)acryloyl]amino]terephthalic acid Formula: C17H12N2O7 MolecularWeight: 356.28638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N2O7/c20-15(8-3-10-1-5-12(6-2-10)19(25)26)18-14-9-11(16(21)22)4-7-13(14)17(23)24/h1-9H,(H,18,20)(H,21,22)(H,23,24)/b8-3+