N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[1-(2-methylpropanoyl)-4-piperidyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[1-(2-methyl-1-oxopropyl)-4-piperidinyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-(1-isobutyryl-4-piperidyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C18H22N6O4 MolecularWeight: 386.40508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O4/c1-12(2)18(26)22-7-5-14(6-8-22)21-17(25)13-3-4-15(16(9-13)24(27)28)23-11-19-10-20-23/h3-4,9-12,14H,5-8H2,1-2H3,(H,21,25)