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

Systemtic Name: 2-azanyl-4-(3-nitrophenyl)-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-(3-nitrophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-(3-nitrophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(3-nitrophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-5-keto-4-(3-nitrophenyl)-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C22H17N3O4 MolecularWeight: 387.38808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O4/c23-12-17-20(14-7-4-8-16(9-14)25(27)28)21-18(26)10-15(11-19(21)29-22(17)24)13-5-2-1-3-6-13/h1-9,15,20H,10-11,24H2