4-(3-methylpiperidin-1-yl)-3,5-dinitro-benzoic acid

Systemtic Name: 4-(3-methylpiperidin-1-yl)-3,5-dinitro-benzoic acid Openeye Name: 4-(3-methyl-1-piperidyl)-3,5-dinitro-benzoic acid CAS Name: 4-(3-methyl-1-piperidinyl)-3,5-dinitrobenzoic acid IUPAC Name: 4-(3-methylpiperidin-1-yl)-3,5-dinitrobenzoic acid Traditional Name: 4-(3-methylpiperidino)-3,5-dinitro-benzoic acid Formula: C13H15N3O6 MolecularWeight: 309.2747

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O6/c1-8-3-2-4-14(7-8)12-10(15(19)20)5-9(13(17)18)6-11(12)16(21)22/h5-6,8H,2-4,7H2,1H3,(H,17,18)