4-[[2-azanylethyl-[(4-methoxy-3-nitro-phenyl)methyl]amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[2-azanylethyl-[(4-methoxy-3-nitro-phenyl)methyl]amino]methyl]benzenecarbonitrile Openeye Name: 4-[[2-aminoethyl-[(4-methoxy-3-nitro-phenyl)methyl]amino]methyl]benzonitrile CAS Name: 4-[[2-aminoethyl-[(4-methoxy-3-nitrophenyl)methyl]amino]methyl]benzonitrile IUPAC Name: 4-[[2-aminoethyl-[(4-methoxy-3-nitrophenyl)methyl]amino]methyl]benzonitrile Traditional Name: 4-[[2-aminoethyl-(4-methoxy-3-nitro-benzyl)amino]methyl]benzonitrile Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O3/c1-25-18-7-6-16(10-17(18)22(23)24)13-21(9-8-19)12-15-4-2-14(11-20)3-5-15/h2-7,10H,8-9,12-13,19H2,1H3