4-azanylidene-2-(4-bromanyl-3-nitro-phenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizine-3-carbonitrile

Systemtic Name: 4-azanylidene-2-(4-bromanyl-3-nitro-phenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizine-3-carbonitrile Openeye Name: 2-(4-bromo-3-nitro-phenyl)-4-imino-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizine-3-carbonitrile CAS Name: 2-(4-bromo-3-nitrophenyl)-4-imino-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizine-3-carbonitrile IUPAC Name: 2-(4-bromo-3-nitrophenyl)-4-imino-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizine-3-carbonitrile Traditional Name: 2-(4-bromo-3-nitro-phenyl)-4-imino-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizine-3-carbonitrile Formula: C21H13BrN4O4 MolecularWeight: 465.25632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(=CC(=C(C2=N)C#N)C3=CC(=C(C=C3)Br)[N+](=O)[O-])C4=CC5=C(C=C41)OCO5

Isomeric SMILES

C1CN2C(=CC(=C(C2=N)C#N)C3=CC(=C(C=C3)Br)[N+](=O)[O-])C4=CC5=C(C=C41)OCO5

InChI

InChI=1S/C21H13BrN4O4/c22-16-2-1-11(5-18(16)26(27)28)13-7-17-14-8-20-19(29-10-30-20)6-12(14)3-4-25(17)21(24)15(13)9-23/h1-2,5-8,24H,3-4,10H2