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

Systemtic Name: 3-[5-[(1E)-3-azanyl-1,4,4-tricyano-buta-1,3-dien-2-yl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[(1E)-2-amino-3,3-dicyano-1-(cyanomethylene)allyl]-2-furyl]benzoic acid CAS Name: 3-[5-[(1E)-3-amino-1,4,4-tricyanobuta-1,3-dien-2-yl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[(1E)-3-amino-1,4,4-tricyanobuta-1,3-dien-2-yl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[(1E)-2-amino-3,3-dicyano-1-(cyanomethylene)allyl]-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(=CC#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/c19-7-6-14(17(22)13(9-20)10-21)16-5-4-15(25-16)11-2-1-3-12(8-11)18(23)24/h1-6,8H,22H2,(H,23,24)/b14-6-