4-[[3-azanylpropyl-[(4-methoxy-3-nitro-phenyl)methyl]amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[3-azanylpropyl-[(4-methoxy-3-nitro-phenyl)methyl]amino]methyl]benzenecarbonitrile Openeye Name: 4-[[3-aminopropyl-[(4-methoxy-3-nitro-phenyl)methyl]amino]methyl]benzonitrile CAS Name: 4-[[3-aminopropyl-[(4-methoxy-3-nitrophenyl)methyl]amino]methyl]benzonitrile IUPAC Name: 4-[[3-aminopropyl-[(4-methoxy-3-nitrophenyl)methyl]amino]methyl]benzonitrile Traditional Name: 4-[[3-aminopropyl-(4-methoxy-3-nitro-benzyl)amino]methyl]benzonitrile Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CCCN)CC2=CC=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CCCN)CC2=CC=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O3/c1-26-19-8-7-17(11-18(19)23(24)25)14-22(10-2-9-20)13-16-5-3-15(12-21)4-6-16/h3-8,11H,2,9-10,13-14,20H2,1H3