methyl 2-[5-[(1Z)-3-azanyl-2,4,4-tricyano-buta-1,3-dienyl]furan-2-yl]benzoate

Systemtic Name: methyl 2-[5-[(1Z)-3-azanyl-2,4,4-tricyano-buta-1,3-dienyl]furan-2-yl]benzoate Openeye Name: methyl 2-[5-[(1Z)-3-amino-2,4,4-tricyano-buta-1,3-dienyl]-2-furyl]benzoate CAS Name: 2-[5-[(1Z)-3-amino-2,4,4-tricyanobuta-1,3-dienyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 2-[5-[(1Z)-3-amino-2,4,4-tricyanobuta-1,3-dienyl]furan-2-yl]benzoate Traditional Name: 2-[5-[(1Z)-3-amino-2,4,4-tricyano-buta-1,3-dienyl]-2-furyl]benzoic acid methyl ester Formula: C19H12N4O3 MolecularWeight: 344.32358

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=CC=C(O2)C=C(C#N)C(=C(C#N)C#N)N

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=CC=C(O2)/C=C(\C#N)/C(=C(C#N)C#N)N

InChI

InChI=1S/C19H12N4O3/c1-25-19(24)16-5-3-2-4-15(16)17-7-6-14(26-17)8-12(9-20)18(23)13(10-21)11-22/h2-8H,23H2,1H3/b12-8+