3-[5-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)furan-2-yl]benzoic acid

Systemtic Name: 3-[5-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)furan-2-yl]benzoic acid Openeye Name: 3-[5-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-2-furyl]benzoic acid CAS Name: 3-[5-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl)-2-furanyl]benzoic acid IUPAC Name: 3-[5-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)furan-2-yl]benzoic acid Traditional Name: 3-[5-(2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl)-2-furyl]benzoic acid Formula: C23H20N2O5 MolecularWeight: 404.4153

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)C(=O)C1)C

InChI

InChI=1S/C23H20N2O5/c1-23(2)9-15(26)20-18(10-23)30-21(25)14(11-24)19(20)17-7-6-16(29-17)12-4-3-5-13(8-12)22(27)28/h3-8,19H,9-10,25H2,1-2H3,(H,27,28)