4-(3-methylpiperidin-1-yl)-3-nitro-N-prop-2-ynyl-benzamide

Systemtic Name: 4-(3-methylpiperidin-1-yl)-3-nitro-N-prop-2-ynyl-benzamide Openeye Name: 4-(3-methyl-1-piperidyl)-3-nitro-N-prop-2-ynyl-benzamide CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitro-N-prop-2-ynylbenzamide IUPAC Name: 4-(3-methylpiperidin-1-yl)-3-nitro-N-prop-2-ynylbenzamide Traditional Name: 4-(3-methylpiperidino)-3-nitro-N-propargyl-benzamide Formula: C16H19N3O3 MolecularWeight: 301.34036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3/c1-3-8-17-16(20)13-6-7-14(15(10-13)19(21)22)18-9-4-5-12(2)11-18/h1,6-7,10,12H,4-5,8-9,11H2,2H3,(H,17,20)