[4-(2-azanyl-3-cyano-5-oxidanylidene-4,6,7,8-tetrahydrochromen-4-yl)phenyl] benzoate

Systemtic Name: [4-(2-azanyl-3-cyano-5-oxidanylidene-4,6,7,8-tetrahydrochromen-4-yl)phenyl] benzoate Openeye Name: [4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)phenyl] benzoate CAS Name: benzoic acid [4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-4-yl)phenyl] ester IUPAC Name: [4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)phenyl] benzoate Traditional Name: benzoic acid [4-(2-amino-3-cyano-5-keto-4,6,7,8-tetrahydrochromen-4-yl)phenyl] ester Formula: C23H18N2O4 MolecularWeight: 386.40002

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)C(=O)C1

InChI

InChI=1S/C23H18N2O4/c24-13-17-20(21-18(26)7-4-8-19(21)29-22(17)25)14-9-11-16(12-10-14)28-23(27)15-5-2-1-3-6-15/h1-3,5-6,9-12,20H,4,7-8,25H2