4-[(2-methoxy-5-methyl-phenyl)methyl-methyl-amino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[(2-methoxy-5-methyl-phenyl)methyl-methyl-amino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[(2-methoxy-5-methyl-phenyl)methyl-methyl-amino]-3-nitro-benzonitrile CAS Name: 4-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-nitrobenzonitrile IUPAC Name: 4-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-nitrobenzonitrile Traditional Name: 4-[(2-methoxy-5-methyl-benzyl)-methyl-amino]-3-nitro-benzonitrile Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CN(C)C2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CN(C)C2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O3/c1-12-4-7-17(23-3)14(8-12)11-19(2)15-6-5-13(10-18)9-16(15)20(21)22/h4-9H,11H2,1-3H3