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

Systemtic Name: 2-[5-[(1Z)-3-azanyl-2,4,4-tricyano-buta-1,3-dienyl]furan-2-yl]-5-bromanyl-benzoic acid Openeye Name: 2-[5-[(1Z)-3-amino-2,4,4-tricyano-buta-1,3-dienyl]-2-furyl]-5-bromo-benzoic acid CAS Name: 2-[5-[(1Z)-3-amino-2,4,4-tricyanobuta-1,3-dienyl]-2-furanyl]-5-bromobenzoic acid IUPAC Name: 2-[5-[(1Z)-3-amino-2,4,4-tricyanobuta-1,3-dienyl]furan-2-yl]-5-bromobenzoic acid Traditional Name: 2-[5-[(1Z)-3-amino-2,4,4-tricyano-buta-1,3-dienyl]-2-furyl]-5-bromo-benzoic acid Formula: C18H9BrN4O3 MolecularWeight: 409.19306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C(=O)O)C2=CC=C(O2)C=C(C#N)C(=C(C#N)C#N)N

Isomeric SMILES

C1=CC(=C(C=C1Br)C(=O)O)C2=CC=C(O2)/C=C(\C#N)/C(=C(C#N)C#N)N

InChI

InChI=1S/C18H9BrN4O3/c19-12-1-3-14(15(6-12)18(24)25)16-4-2-13(26-16)5-10(7-20)17(23)11(8-21)9-22/h1-6H,23H2,(H,24,25)/b10-5+