(Z)-(3-nitrophenyl)methylidene-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)azanium

Systemtic Name: (Z)-(3-nitrophenyl)methylidene-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)azanium Openeye Name: (Z)-(3-nitrophenyl)methylene-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ammonium CAS Name: (Z)-(3-nitrophenyl)methylidene-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ammonium IUPAC Name: (Z)-(3-nitrophenyl)methylidene-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)azanium Traditional Name: (Z)-(3-nitrobenzylidene)-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ammonium Formula: C13H17N4O2+ MolecularWeight: 261.29968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)N[NH+]=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=NCC1)N/[NH+]=C\C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O2/c18-17(19)12-6-4-5-11(9-12)10-15-16-13-7-2-1-3-8-14-13/h4-6,9-10H,1-3,7-8H2,(H,14,16)/p+1/b15-10-