4-[[(E)-2-cyano-3-[5-(4-methoxy-2-nitro-phenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-2-cyano-3-[5-(4-methoxy-2-nitro-phenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-2-cyano-3-[5-(4-methoxy-2-nitro-phenyl)-2-furyl]prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-2-cyano-3-[5-(4-methoxy-2-nitrophenyl)-2-furanyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-2-cyano-3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-2-cyano-3-[5-(4-methoxy-2-nitro-phenyl)-2-furyl]acryloyl]amino]benzoic acid Formula: C22H15N3O7 MolecularWeight: 433.3704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C22H15N3O7/c1-31-16-6-8-18(19(11-16)25(29)30)20-9-7-17(32-20)10-14(12-23)21(26)24-15-4-2-13(3-5-15)22(27)28/h2-11H,1H3,(H,24,26)(H,27,28)/b14-10+