2-azanyl-1,4-bis(3-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-1,4-bis(3-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1,4-bis(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1,4-bis(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1,4-bis(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-5-keto-1,4-bis(3-nitrophenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C22H17N5O5 MolecularWeight: 431.40088

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(N2C3=CC(=CC=C3)[N+](=O)[O-])N)C#N)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(N2C3=CC(=CC=C3)[N+](=O)[O-])N)C#N)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C1

InChI

InChI=1S/C22H17N5O5/c23-12-17-20(13-4-1-6-15(10-13)26(29)30)21-18(8-3-9-19(21)28)25(22(17)24)14-5-2-7-16(11-14)27(31)32/h1-2,4-7,10-11,20H,3,8-9,24H2