(3,5-dimethylpiperidin-1-yl)-[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]methanone

Systemtic Name: (3,5-dimethylpiperidin-1-yl)-[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]methanone Openeye Name: (3,5-dimethyl-1-piperidyl)-[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]methanone CAS Name: (3,5-dimethyl-1-piperidinyl)-[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]methanone IUPAC Name: (3,5-dimethylpiperidin-1-yl)-[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]methanone Traditional Name: (3,5-dimethylpiperidino)-[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]methanone Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])C

InChI

InChI=1S/C16H19N5O3/c1-11-5-12(2)8-19(7-11)16(22)13-3-4-14(15(6-13)21(23)24)20-10-17-9-18-20/h3-4,6,9-12H,5,7-8H2,1-2H3