4-azanyl-9,10-dimethoxy-2-(3-nitrophenyl)-6,7-dihydrobenzo[a]quinolizin-5-ium-3-carbonitrile

Systemtic Name: 4-azanyl-9,10-dimethoxy-2-(3-nitrophenyl)-6,7-dihydrobenzo[a]quinolizin-5-ium-3-carbonitrile Openeye Name: 4-amino-9,10-dimethoxy-2-(3-nitrophenyl)-6,7-dihydrobenzo[a]quinolizin-5-ium-3-carbonitrile CAS Name: 4-amino-9,10-dimethoxy-2-(3-nitrophenyl)-6,7-dihydrobenzo[a]quinolizin-5-ium-3-carbonitrile IUPAC Name: 4-amino-9,10-dimethoxy-2-(3-nitrophenyl)-6,7-dihydrobenzo[a]quinolizin-5-ium-3-carbonitrile Traditional Name: 4-amino-9,10-dimethoxy-2-(3-nitrophenyl)-6,7-dihydrobenzo[a]quinolizin-5-ium-3-carbonitrile Formula: C22H19N4O4+ MolecularWeight: 403.41066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC[N+]3=C2C=C(C(=C3N)C#N)C4=CC(=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC[N+]3=C2C=C(C(=C3N)C#N)C4=CC(=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C22H18N4O4/c1-29-20-9-14-6-7-25-19(17(14)11-21(20)30-2)10-16(18(12-23)22(25)24)13-4-3-5-15(8-13)26(27)28/h3-5,8-11,24H,6-7H2,1-2H3/p+1