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

Systemtic Name: 3-[5-(3-azanyl-2,4,4-tricyano-buta-1,3-dienyl)furan-2-yl]benzoic acid Openeye Name: 3-[5-(3-amino-2,4,4-tricyano-buta-1,3-dienyl)-2-furyl]benzoic acid CAS Name: 3-[5-(3-amino-2,4,4-tricyanobuta-1,3-dienyl)-2-furanyl]benzoic acid IUPAC Name: 3-[5-(3-amino-2,4,4-tricyanobuta-1,3-dienyl)furan-2-yl]benzoic acid Traditional Name: 3-[5-(3-amino-2,4,4-tricyano-buta-1,3-dienyl)-2-furyl]benzoic acid Formula: C18H10N4O3 MolecularWeight: 330.297

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H10N4O3/c19-8-13(17(22)14(9-20)10-21)7-15-4-5-16(25-15)11-2-1-3-12(6-11)18(23)24/h1-7H,22H2,(H,23,24)