azepan-2-ylidene-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-phenyl-azanium

Systemtic Name: azepan-2-ylidene-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-phenyl-azanium Openeye Name: azepan-2-ylidene-[2-(3-nitrophenyl)-2-oxo-ethyl]-phenyl-ammonium CAS Name: 2-azepanylidene-[2-(3-nitrophenyl)-2-oxoethyl]-phenylammonium IUPAC Name: azepan-2-ylidene-[2-(3-nitrophenyl)-2-oxoethyl]-phenylazanium Traditional Name: azepan-2-ylidene-[2-keto-2-(3-nitrophenyl)ethyl]-phenyl-ammonium Formula: C20H22N3O3+ MolecularWeight: 352.40698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[N+](CC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3)NCC1

Isomeric SMILES

C1CCC(=[N+](CC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3)NCC1

InChI

InChI=1S/C20H21N3O3/c24-19(16-8-7-11-18(14-16)23(25)26)15-22(17-9-3-1-4-10-17)20-12-5-2-6-13-21-20/h1,3-4,7-11,14H,2,5-6,12-13,15H2/p+1