N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCN(C)C(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCN(C)C(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])C

InChI

InChI=1S/C20H21N5O4/c1-14-8-15(2)10-17(9-14)29-7-6-23(3)20(26)16-4-5-18(19(11-16)25(27)28)24-13-21-12-22-24/h4-5,8-13H,6-7H2,1-3H3