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

Systemtic Name: propan-2-yl 4-[5-(3-azanyl-2,4,4-tricyano-buta-1,3-dienyl)furan-2-yl]benzoate Openeye Name: isopropyl 4-[5-(3-amino-2,4,4-tricyano-buta-1,3-dienyl)-2-furyl]benzoate CAS Name: 4-[5-(3-amino-2,4,4-tricyanobuta-1,3-dienyl)-2-furanyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[5-(3-amino-2,4,4-tricyanobuta-1,3-dienyl)furan-2-yl]benzoate Traditional Name: 4-[5-(3-amino-2,4,4-tricyano-buta-1,3-dienyl)-2-furyl]benzoic acid isopropyl ester Formula: C21H16N4O3 MolecularWeight: 372.37674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=C(C#N)C#N)N

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=C(C#N)C#N)N

InChI

InChI=1S/C21H16N4O3/c1-13(2)27-21(26)15-5-3-14(4-6-15)19-8-7-18(28-19)9-16(10-22)20(25)17(11-23)12-24/h3-9,13H,25H2,1-2H3