(3-methylpiperidin-1-yl)-[3-nitro-4-(3-nitrophenoxy)phenyl]methanone

Systemtic Name: (3-methylpiperidin-1-yl)-[3-nitro-4-(3-nitrophenoxy)phenyl]methanone Openeye Name: (3-methyl-1-piperidyl)-[3-nitro-4-(3-nitrophenoxy)phenyl]methanone CAS Name: (3-methyl-1-piperidinyl)-[3-nitro-4-(3-nitrophenoxy)phenyl]methanone IUPAC Name: (3-methylpiperidin-1-yl)-[3-nitro-4-(3-nitrophenoxy)phenyl]methanone Traditional Name: (3-methylpiperidino)-[3-nitro-4-(3-nitrophenoxy)phenyl]methanone Formula: C19H19N3O6 MolecularWeight: 385.37066

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)OC3=CC=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)OC3=CC=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O6/c1-13-4-3-9-20(12-13)19(23)14-7-8-18(17(10-14)22(26)27)28-16-6-2-5-15(11-16)21(24)25/h2,5-8,10-11,13H,3-4,9,12H2,1H3