2-(azepan-2-ylidene)-1-(4-methylphenyl)-2-nitro-ethane-1,1-diol

Systemtic Name: 2-(azepan-2-ylidene)-1-(4-methylphenyl)-2-nitro-ethane-1,1-diol Openeye Name: 2-(azepan-2-ylidene)-2-nitro-1-(p-tolyl)ethane-1,1-diol CAS Name: 2-(2-azepanylidene)-1-(4-methylphenyl)-2-nitroethane-1,1-diol IUPAC Name: 2-(azepan-2-ylidene)-1-(4-methylphenyl)-2-nitroethane-1,1-diol Traditional Name: 2-(azepan-2-ylidene)-2-nitro-1-(p-tolyl)ethane-1,1-diol Formula: C15H20N2O4 MolecularWeight: 292.3303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=C2CCCCCN2)[N+](=O)[O-])(O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C(=C2CCCCCN2)[N+](=O)[O-])(O)O

InChI

InChI=1S/C15H20N2O4/c1-11-6-8-12(9-7-11)15(18,19)14(17(20)21)13-5-3-2-4-10-16-13/h6-9,16,18-19H,2-5,10H2,1H3