4-[[2-(diethylaminomethyl)phenyl]methylamino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[[2-(diethylaminomethyl)phenyl]methylamino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[[2-(diethylaminomethyl)phenyl]methylamino]-3-nitro-benzonitrile CAS Name: 4-[[2-(diethylaminomethyl)phenyl]methylamino]-3-nitrobenzonitrile IUPAC Name: 4-[[2-(diethylaminomethyl)phenyl]methylamino]-3-nitrobenzonitrile Traditional Name: 4-[[2-(diethylaminomethyl)benzyl]amino]-3-nitro-benzonitrile Formula: C19H22N4O2 MolecularWeight: 338.40358

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CC=C1CNC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CC1=CC=CC=C1CNC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O2/c1-3-22(4-2)14-17-8-6-5-7-16(17)13-21-18-10-9-15(12-20)11-19(18)23(24)25/h5-11,21H,3-4,13-14H2,1-2H3