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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: 3-nitro-4-(1,2,4-triazol-1-yl)-N-veratryl-benzamide Formula: C18H17N5O5 MolecularWeight: 383.35808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H17N5O5/c1-27-16-6-3-12(7-17(16)28-2)9-20-18(24)13-4-5-14(15(8-13)23(25)26)22-11-19-10-21-22/h3-8,10-11H,9H2,1-2H3,(H,20,24)