3-[[2-cyano-3-[3-methoxy-4-(5-nitropyridin-2-yl)oxy-phenyl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-[3-methoxy-4-(5-nitropyridin-2-yl)oxy-phenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-[3-methoxy-4-[(5-nitro-2-pyridyl)oxy]phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-[3-methoxy-4-(5-nitropyridin-2-yl)oxyphenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-[3-methoxy-4-[(5-nitro-2-pyridyl)oxy]phenyl]acryloyl]amino]benzoic acid Formula: C23H16N4O7 MolecularWeight: 460.39574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H16N4O7/c1-33-20-10-14(5-7-19(20)34-21-8-6-18(13-25-21)27(31)32)9-16(12-24)22(28)26-17-4-2-3-15(11-17)23(29)30/h2-11,13H,1H3,(H,26,28)(H,29,30)