4-azanyl-2-(3-nitrophenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile

Systemtic Name: 4-azanyl-2-(3-nitrophenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile Openeye Name: 4-amino-2-(3-nitrophenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile CAS Name: 4-amino-2-(3-nitrophenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile IUPAC Name: 4-amino-2-(3-nitrophenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile Traditional Name: 4-amino-2-(3-nitrophenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carbonitrile Formula: C21H15N4O4+ MolecularWeight: 387.3682

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2=C(C=C(C(=C2N)C#N)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC5=C(C=C41)OCO5

Isomeric SMILES

C1C[N+]2=C(C=C(C(=C2N)C#N)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC5=C(C=C41)OCO5

InChI

InChI=1S/C21H14N4O4/c22-10-17-15(12-2-1-3-14(6-12)25(26)27)8-18-16-9-20-19(28-11-29-20)7-13(16)4-5-24(18)21(17)23/h1-3,6-9,23H,4-5,11H2/p+1