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

Systemtic Name: (2E)-2-(azepan-1-ium-2-ylidene)-1-(4-methylphenyl)-2-nitro-ethane-1,1-diol Openeye Name: (2E)-2-(azepan-1-ium-2-ylidene)-2-nitro-1-(p-tolyl)ethane-1,1-diol CAS Name: (2E)-2-(2-azepan-1-iumylidene)-1-(4-methylphenyl)-2-nitroethane-1,1-diol IUPAC Name: (2E)-2-(azepan-1-ium-2-ylidene)-1-(4-methylphenyl)-2-nitroethane-1,1-diol Traditional Name: (2E)-2-(azepan-1-ium-2-ylidene)-2-nitro-1-(p-tolyl)ethane-1,1-diol Formula: C15H21N2O4+ MolecularWeight: 293.33824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=C2CCCCC[NH2+]2)[N+](=O)[O-])(O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(/C(=C\2/CCCCC[NH2+]2)/[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/p+1/b14-13+