[2-(hydroxymethyl)piperidin-1-yl]-[2-nitro-3-[(4-nitrophenyl)methoxy]phenyl]methanone

Systemtic Name: [2-(hydroxymethyl)piperidin-1-yl]-[2-nitro-3-[(4-nitrophenyl)methoxy]phenyl]methanone Openeye Name: [2-(hydroxymethyl)-1-piperidyl]-[2-nitro-3-[(4-nitrophenyl)methoxy]phenyl]methanone CAS Name: [2-(hydroxymethyl)-1-piperidinyl]-[2-nitro-3-[(4-nitrophenyl)methoxy]phenyl]methanone IUPAC Name: [2-(hydroxymethyl)piperidin-1-yl]-[2-nitro-3-[(4-nitrophenyl)methoxy]phenyl]methanone Traditional Name: (2-methylolpiperidino)-[2-nitro-3-(4-nitrobenzyl)oxy-phenyl]methanone Formula: C20H21N3O7 MolecularWeight: 415.39664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CO)C(=O)C2=C(C(=CC=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(C(C1)CO)C(=O)C2=C(C(=CC=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O7/c24-12-16-4-1-2-11-21(16)20(25)17-5-3-6-18(19(17)23(28)29)30-13-14-7-9-15(10-8-14)22(26)27/h3,5-10,16,24H,1-2,4,11-13H2