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

Systemtic Name: [4-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)phenyl] benzoate Openeye Name: [4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)phenyl] benzoate CAS Name: benzoic acid [4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl)phenyl] ester IUPAC Name: [4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)phenyl] benzoate Traditional Name: benzoic acid [4-(2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl)phenyl] ester Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O4/c1-25(2)12-19(28)22-20(13-25)31-23(27)18(14-26)21(22)15-8-10-17(11-9-15)30-24(29)16-6-4-3-5-7-16/h3-11,21H,12-13,27H2,1-2H3