4-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[[2-[4-(hydroxymethyl)-1-piperidyl]phenyl]methylamino]-3-nitro-benzonitrile CAS Name: 4-[[2-[4-(hydroxymethyl)-1-piperidinyl]phenyl]methylamino]-3-nitrobenzonitrile IUPAC Name: 4-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]-3-nitrobenzonitrile Traditional Name: 4-[[2-(4-methylolpiperidino)benzyl]amino]-3-nitro-benzonitrile Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CO)C2=CC=CC=C2CNC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CO)C2=CC=CC=C2CNC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O3/c21-12-16-5-6-18(20(11-16)24(26)27)22-13-17-3-1-2-4-19(17)23-9-7-15(14-25)8-10-23/h1-6,11,15,22,25H,7-10,13-14H2