[1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: [1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cycloheptylamino)-1-oxopropan-2-yl] 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H22N2O7 MolecularWeight: 378.37648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CC(C(=O)NC1CCCCCC1)OC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C18H22N2O7/c1-11(17(21)19-12-6-4-2-3-5-7-12)27-18(22)13-8-15-16(26-10-25-15)9-14(13)20(23)24/h8-9,11-12H,2-7,10H2,1H3,(H,19,21)