methyl 2-[[(E)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 2-[[(E)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]benzoate Openeye Name: methyl 2-[[(E)-2-cyano-3-[5-(2-nitrophenyl)-2-furyl]prop-2-enoyl]amino]benzoate CAS Name: 2-[[(E)-2-cyano-3-[5-(2-nitrophenyl)-2-furanyl]-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]benzoate Traditional Name: 2-[[(E)-2-cyano-3-[5-(2-nitrophenyl)-2-furyl]acryloyl]amino]benzoic acid methyl ester Formula: C22H15N3O6 MolecularWeight: 417.371

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C(=CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])C#N

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)/C(=C/C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])/C#N

InChI

InChI=1S/C22H15N3O6/c1-30-22(27)16-6-2-4-8-18(16)24-21(26)14(13-23)12-15-10-11-20(31-15)17-7-3-5-9-19(17)25(28)29/h2-12H,1H3,(H,24,26)/b14-12+