methyl 4-(2-methylpiperidin-1-yl)-3,5-dinitro-benzoate

Systemtic Name: methyl 4-(2-methylpiperidin-1-yl)-3,5-dinitro-benzoate Openeye Name: methyl 4-(2-methyl-1-piperidyl)-3,5-dinitro-benzoate CAS Name: 4-(2-methyl-1-piperidinyl)-3,5-dinitrobenzoic acid methyl ester IUPAC Name: methyl 4-(2-methylpiperidin-1-yl)-3,5-dinitrobenzoate Traditional Name: 4-(2-methylpiperidino)-3,5-dinitro-benzoic acid methyl ester Formula: C14H17N3O6 MolecularWeight: 323.30128

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C(C=C(C=C2[N+](=O)[O-])C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1C2=C(C=C(C=C2[N+](=O)[O-])C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O6/c1-9-5-3-4-6-15(9)13-11(16(19)20)7-10(14(18)23-2)8-12(13)17(21)22/h7-9H,3-6H2,1-2H3