2-azanyl-4-(6-nitro-1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-4-(6-nitro-1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(6-nitro-1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(6-nitro-1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-(6-nitro-1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(6-nitro-1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Formula: C18H17N4O4+ MolecularWeight: 353.35198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)[NH+]=C(C(=C2C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C#N)N

Isomeric SMILES

C1CCC2=C(CC1)[NH+]=C(C(=C2C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C#N)N

InChI

InChI=1S/C18H16N4O4/c19-8-12-17(10-4-2-1-3-5-13(10)21-18(12)20)11-6-15-16(26-9-25-15)7-14(11)22(23)24/h6-7H,1-5,9H2,(H2,20,21)/p+1