1-(4-methylphenyl)-2-nitro-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ethane-1,1-diol

Systemtic Name: 1-(4-methylphenyl)-2-nitro-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ethane-1,1-diol Openeye Name: 2-nitro-1-(p-tolyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ethane-1,1-diol CAS Name: 1-(4-methylphenyl)-2-nitro-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ethane-1,1-diol IUPAC Name: 1-(4-methylphenyl)-2-nitro-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ethane-1,1-diol Traditional Name: 2-nitro-1-(p-tolyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ethane-1,1-diol Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(C2=NCCCCC2)[N+](=O)[O-])(O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C(C2=NCCCCC2)[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/h6-9,14,18-19H,2-5,10H2,1H3