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

Systemtic Name: 2-azanyl-4-(4-chloranyl-3-nitro-phenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(4-chloro-3-nitro-phenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(4-chloro-3-nitrophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-(4-chloro-3-nitrophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(4-chloro-3-nitro-phenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Formula: C17H16ClN4O2+ MolecularWeight: 343.78754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN4O2/c18-13-7-6-10(8-15(13)22(23)24)16-11-4-2-1-3-5-14(11)21-17(20)12(16)9-19/h6-8H,1-5H2,(H2,20,21)/p+1