2-[(3-methyl-2-morpholin-4-yl-butyl)amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(3-methyl-2-morpholin-4-yl-butyl)amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(3-methyl-2-morpholino-butyl)amino]-5-nitro-benzonitrile CAS Name: 2-[[3-methyl-2-(4-morpholinyl)butyl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[(3-methyl-2-morpholin-4-ylbutyl)amino]-5-nitrobenzonitrile Traditional Name: 2-[(3-methyl-2-morpholino-butyl)amino]-5-nitro-benzonitrile Formula: C16H22N4O3 MolecularWeight: 318.37088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC1=C(C=C(C=C1)[N+](=O)[O-])C#N)N2CCOCC2

Isomeric SMILES

CC(C)C(CNC1=C(C=C(C=C1)[N+](=O)[O-])C#N)N2CCOCC2

InChI

InChI=1S/C16H22N4O3/c1-12(2)16(19-5-7-23-8-6-19)11-18-15-4-3-14(20(21)22)9-13(15)10-17/h3-4,9,12,16,18H,5-8,11H2,1-2H3