1-[dodecyl(methyl)amino]-3-(nitrodiazenyl)cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 1-[dodecyl(methyl)amino]-3-(nitrodiazenyl)cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 1-[dodecyl(methyl)amino]-3-nitroazo-cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 1-[dodecyl(methyl)amino]-3-nitroazo-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 1-[dodecyl(methyl)amino]-3-(nitrodiazenyl)cyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 1-[lauryl(methyl)amino]-3-nitroazo-cyclohexa-2,5-diene-1-carboxylic acid Formula: C20H34N4O4 MolecularWeight: 394.50836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(C)C1(C=CCC(=C1)N=N[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCCCCCCCCCN(C)C1(C=CCC(=C1)N=N[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H34N4O4/c1-3-4-5-6-7-8-9-10-11-12-16-23(2)20(19(25)26)15-13-14-18(17-20)21-22-24(27)28/h13,15,17H,3-12,14,16H2,1-2H3,(H,25,26)