5-bromanyl-2-[5-[2-cyano-3-(methylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid

Systemtic Name: 5-bromanyl-2-[5-[2-cyano-3-(methylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid Openeye Name: 5-bromo-2-[5-[2-cyano-3-(methylamino)-3-oxo-prop-1-enyl]-2-furyl]benzoic acid CAS Name: 5-bromo-2-[5-[2-cyano-3-(methylamino)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid IUPAC Name: 5-bromo-2-[5-[2-cyano-3-(methylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid Traditional Name: 5-bromo-2-[5-[2-cyano-3-keto-3-(methylamino)prop-1-enyl]-2-furyl]benzoic acid Formula: C16H11BrN2O4 MolecularWeight: 375.17354

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(=CC1=CC=C(O1)C2=C(C=C(C=C2)Br)C(=O)O)C#N

Isomeric SMILES

CNC(=O)C(=CC1=CC=C(O1)C2=C(C=C(C=C2)Br)C(=O)O)C#N

InChI

InChI=1S/C16H11BrN2O4/c1-19-15(20)9(8-18)6-11-3-5-14(23-11)12-4-2-10(17)7-13(12)16(21)22/h2-7H,1H3,(H,19,20)(H,21,22)