azepan-2-ylidene-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]-phenyl-azanium

Systemtic Name: azepan-2-ylidene-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]-phenyl-azanium Openeye Name: azepan-2-ylidene-[2-(4-nitrophenyl)-2-oxo-ethyl]-phenyl-ammonium CAS Name: 2-azepanylidene-[2-(4-nitrophenyl)-2-oxoethyl]-phenylammonium IUPAC Name: azepan-2-ylidene-[2-(4-nitrophenyl)-2-oxoethyl]-phenylazanium Traditional Name: azepan-2-ylidene-[2-keto-2-(4-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=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)NCC1

Isomeric SMILES

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

InChI

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