azepan-2-ylidene-(4-bromophenyl)-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]azanium

Systemtic Name: azepan-2-ylidene-(4-bromophenyl)-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]azanium Openeye Name: azepan-2-ylidene-(4-bromophenyl)-[2-(3-nitrophenyl)-2-oxo-ethyl]ammonium CAS Name: 2-azepanylidene-(4-bromophenyl)-[2-(3-nitrophenyl)-2-oxoethyl]ammonium IUPAC Name: azepan-2-ylidene-(4-bromophenyl)-[2-(3-nitrophenyl)-2-oxoethyl]azanium Traditional Name: azepan-2-ylidene-(4-bromophenyl)-[2-keto-2-(3-nitrophenyl)ethyl]ammonium Formula: C20H21BrN3O3+ MolecularWeight: 431.30304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3O3/c21-16-8-10-17(11-9-16)23(20-7-2-1-3-12-22-20)14-19(25)15-5-4-6-18(13-15)24(26)27/h4-6,8-11,13H,1-3,7,12,14H2/p+1