4-[[2-(3,5-dimethylphenoxy)ethyl-methyl-amino]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[2-(3,5-dimethylphenoxy)ethyl-methyl-amino]methyl]-3-nitro-benzamide Openeye Name: 4-[[2-(3,5-dimethylphenoxy)ethyl-methyl-amino]methyl]-3-nitro-benzamide CAS Name: 4-[[2-(3,5-dimethylphenoxy)ethyl-methylamino]methyl]-3-nitrobenzamide IUPAC Name: 4-[[2-(3,5-dimethylphenoxy)ethyl-methylamino]methyl]-3-nitrobenzamide Traditional Name: 4-[[2-(3,5-dimethylphenoxy)ethyl-methyl-amino]methyl]-3-nitro-benzamide Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCN(C)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCN(C)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C

InChI

InChI=1S/C19H23N3O4/c1-13-8-14(2)10-17(9-13)26-7-6-21(3)12-16-5-4-15(19(20)23)11-18(16)22(24)25/h4-5,8-11H,6-7,12H2,1-3H3,(H2,20,23)