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

Systemtic Name: 2-azanyl-4-(4-nitrophenyl)-5-oxidanylidene-1-pyridin-1-ium-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-nitrophenyl)-5-oxo-1-pyridin-1-ium-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(4-nitrophenyl)-5-oxo-1-(3-pyridin-1-iumyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-nitrophenyl)-5-oxo-1-pyridin-1-ium-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-5-keto-4-(4-nitrophenyl)-1-pyridin-1-ium-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C21H18N5O3+ MolecularWeight: 388.39932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5O3/c22-11-16-19(13-6-8-14(9-7-13)26(28)29)20-17(4-1-5-18(20)27)25(21(16)23)15-3-2-10-24-12-15/h2-3,6-10,12,19H,1,4-5,23H2/p+1