2-[(4,5-dimethoxy-2-methyl-phenyl)amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(4,5-dimethoxy-2-methyl-phenyl)amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-(4,5-dimethoxy-2-methyl-anilino)-5-nitro-benzonitrile CAS Name: 2-(4,5-dimethoxy-2-methylanilino)-5-nitrobenzonitrile IUPAC Name: 2-(4,5-dimethoxy-2-methylanilino)-5-nitrobenzonitrile Traditional Name: 2-(4,5-dimethoxy-2-methyl-anilino)-5-nitro-benzonitrile Formula: C16H15N3O4 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)OC)OC

InChI

InChI=1S/C16H15N3O4/c1-10-6-15(22-2)16(23-3)8-14(10)18-13-5-4-12(19(20)21)7-11(13)9-17/h4-8,18H,1-3H3