2-azanyl-7-(3-chlorophenyl)-4-(4-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-azanyl-7-(3-chlorophenyl)-4-(4-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-7-(3-chlorophenyl)-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-7-(3-chlorophenyl)-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-7-(3-chlorophenyl)-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-7-(3-chlorophenyl)-5-keto-4-(4-nitrophenyl)-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C22H16ClN3O4 MolecularWeight: 421.83314

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C2=C1OC(=C(C2C3=CC=C(C=C3)[N+](=O)[O-])C#N)N)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1C(CC(=O)C2=C1OC(=C(C2C3=CC=C(C=C3)[N+](=O)[O-])C#N)N)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H16ClN3O4/c23-15-3-1-2-13(8-15)14-9-18(27)21-19(10-14)30-22(25)17(11-24)20(21)12-4-6-16(7-5-12)26(28)29/h1-8,14,20H,9-10,25H2