N-(4,5-dimethoxy-2-methyl-phenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-(4,5-dimethoxy-2-methyl-phenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-(4,5-dimethoxy-2-methyl-phenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-(4,5-dimethoxy-2-methylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-(4,5-dimethoxy-2-methylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-(4,5-dimethoxy-2-methyl-phenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C18H17N5O5 MolecularWeight: 383.35808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C18H17N5O5/c1-11-6-16(27-2)17(28-3)8-13(11)21-18(24)12-4-5-14(15(7-12)23(25)26)22-10-19-9-20-22/h4-10H,1-3H3,(H,21,24)