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

Systemtic Name: [4-(2-azanyl-3-cyano-5-oxidanylidene-4,6,7,8-tetrahydrochromen-4-yl)phenyl] 2-chloranylbenzoate Openeye Name: [4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)phenyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic 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] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [4-(2-amino-3-cyano-5-keto-4,6,7,8-tetrahydrochromen-4-yl)phenyl] ester Formula: C23H17ClN2O4 MolecularWeight: 420.84508

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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=C4Cl)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4Cl)C(=O)C1

InChI

InChI=1S/C23H17ClN2O4/c24-17-5-2-1-4-15(17)23(28)29-14-10-8-13(9-11-14)20-16(12-25)22(26)30-19-7-3-6-18(27)21(19)20/h1-2,4-5,8-11,20H,3,6-7,26H2