(2-methyl-3,5-dinitro-phenyl)-[4-(phenylmethyl)piperidin-1-yl]methanone

Systemtic Name: (2-methyl-3,5-dinitro-phenyl)-[4-(phenylmethyl)piperidin-1-yl]methanone Openeye Name: (4-benzyl-1-piperidyl)-(2-methyl-3,5-dinitro-phenyl)methanone CAS Name: (2-methyl-3,5-dinitrophenyl)-[4-(phenylmethyl)-1-piperidinyl]methanone IUPAC Name: (4-benzylpiperidin-1-yl)-(2-methyl-3,5-dinitrophenyl)methanone Traditional Name: (4-benzylpiperidino)-(2-methyl-3,5-dinitro-phenyl)methanone Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)N2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)N2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c1-14-18(12-17(22(25)26)13-19(14)23(27)28)20(24)21-9-7-16(8-10-21)11-15-5-3-2-4-6-15/h2-6,12-13,16H,7-11H2,1H3