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

Systemtic Name: azepan-2-ylidene-(2-methoxyphenyl)-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]azanium Openeye Name: azepan-2-ylidene-(2-methoxyphenyl)-[2-(3-nitrophenyl)-2-oxo-ethyl]ammonium CAS Name: 2-azepanylidene-(2-methoxyphenyl)-[2-(3-nitrophenyl)-2-oxoethyl]ammonium IUPAC Name: azepan-2-ylidene-(2-methoxyphenyl)-[2-(3-nitrophenyl)-2-oxoethyl]azanium Traditional Name: azepan-2-ylidene-[2-keto-2-(3-nitrophenyl)ethyl]-(2-methoxyphenyl)ammonium Formula: C21H24N3O4+ MolecularWeight: 382.43296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1[N+](=C2CCCCCN2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1[N+](=C2CCCCCN2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O4/c1-28-20-11-5-4-10-18(20)23(21-12-3-2-6-13-22-21)15-19(25)16-8-7-9-17(14-16)24(26)27/h4-5,7-11,14H,2-3,6,12-13,15H2,1H3/p+1