2-[(2,5-dimethoxyphenyl)methylamino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(2,5-dimethoxyphenyl)methylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(2,5-dimethoxyphenyl)methylamino]-5-nitro-benzonitrile CAS Name: 2-[(2,5-dimethoxyphenyl)methylamino]-5-nitrobenzonitrile IUPAC Name: 2-[(2,5-dimethoxyphenyl)methylamino]-5-nitrobenzonitrile Traditional Name: 2-[(2,5-dimethoxybenzyl)amino]-5-nitro-benzonitrile Formula: C16H15N3O4 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H15N3O4/c1-22-14-4-6-16(23-2)12(8-14)10-18-15-5-3-13(19(20)21)7-11(15)9-17/h3-8,18H,10H2,1-2H3