2-azanyl-4-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-[3-(4-chlorophenyl)anthranil-5-yl]-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C23H16ClN3O3 MolecularWeight: 417.84444

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(ON=C4C=C3)C5=CC=C(C=C5)Cl)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(ON=C4C=C3)C5=CC=C(C=C5)Cl)C(=O)C1

InChI

InChI=1S/C23H16ClN3O3/c24-14-7-4-12(5-8-14)22-15-10-13(6-9-17(15)27-30-22)20-16(11-25)23(26)29-19-3-1-2-18(28)21(19)20/h4-10,20H,1-3,26H2