5-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]-2-nitro-benzenecarbonitrile

Systemtic Name: 5-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]-2-nitro-benzenecarbonitrile Openeye Name: 5-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]-2-nitro-benzonitrile CAS Name: 5-methoxy-4-[3-(4-methyl-1-piperazinyl)propoxy]-2-nitrobenzonitrile IUPAC Name: 5-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]-2-nitrobenzonitrile Traditional Name: 5-methoxy-4-[3-(4-methylpiperazino)propoxy]-2-nitro-benzonitrile Formula: C16H22N4O4 MolecularWeight: 334.37028

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCOC2=C(C=C(C(=C2)[N+](=O)[O-])C#N)OC

Isomeric SMILES

CN1CCN(CC1)CCCOC2=C(C=C(C(=C2)[N+](=O)[O-])C#N)OC

InChI

InChI=1S/C16H22N4O4/c1-18-5-7-19(8-6-18)4-3-9-24-16-11-14(20(21)22)13(12-17)10-15(16)23-2/h10-11H,3-9H2,1-2H3