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

Systemtic Name: [2-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)phenyl] 2-chloranylbenzoate Openeye Name: [2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)phenyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl)phenyl] ester IUPAC Name: [2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)phenyl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [2-(2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl)phenyl] ester Formula: C25H21ClN2O4 MolecularWeight: 448.89824

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3OC(=O)C4=CC=CC=C4Cl)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3OC(=O)C4=CC=CC=C4Cl)C(=O)C1)C

InChI

InChI=1S/C25H21ClN2O4/c1-25(2)11-18(29)22-20(12-25)31-23(28)16(13-27)21(22)15-8-4-6-10-19(15)32-24(30)14-7-3-5-9-17(14)26/h3-10,21H,11-12,28H2,1-2H3