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

Systemtic Name: azepan-2-ylidene-(4-methoxyphenyl)-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]azanium Openeye Name: azepan-2-ylidene-(4-methoxyphenyl)-[2-(3-nitrophenyl)-2-oxo-ethyl]ammonium CAS Name: 2-azepanylidene-(4-methoxyphenyl)-[2-(3-nitrophenyl)-2-oxoethyl]ammonium IUPAC Name: azepan-2-ylidene-(4-methoxyphenyl)-[2-(3-nitrophenyl)-2-oxoethyl]azanium Traditional Name: azepan-2-ylidene-[2-keto-2-(3-nitrophenyl)ethyl]-(4-methoxyphenyl)ammonium Formula: C21H24N3O4+ MolecularWeight: 382.43296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4/c1-28-19-11-9-17(10-12-19)23(21-8-3-2-4-13-22-21)15-20(25)16-6-5-7-18(14-16)24(26)27/h5-7,9-12,14H,2-4,8,13,15H2,1H3/p+1