2-[[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]amino]terephthalic acid

Systemtic Name: 2-[[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]amino]terephthalic acid Openeye Name: 2-[[(E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoyl]amino]terephthalic acid CAS Name: 2-[[(E)-3-(4-chloro-3-nitrophenyl)-1-oxoprop-2-enyl]amino]terephthalic acid IUPAC Name: 2-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]terephthalic acid Traditional Name: 2-[[(E)-3-(4-chloro-3-nitro-phenyl)acryloyl]amino]terephthalic acid Formula: C17H11ClN2O7 MolecularWeight: 390.73144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11ClN2O7/c18-12-5-1-9(7-14(12)20(26)27)2-6-15(21)19-13-8-10(16(22)23)3-4-11(13)17(24)25/h1-8H,(H,19,21)(H,22,23)(H,24,25)/b6-2+