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

Systemtic Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-methyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-methyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-(4-ethoxy-3-methoxy-benzyl)-N-methyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C20H21N5O5 MolecularWeight: 411.41124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN(C)C(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN(C)C(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H21N5O5/c1-4-30-18-8-5-14(9-19(18)29-3)11-23(2)20(26)15-6-7-16(17(10-15)25(27)28)24-13-21-12-22-24/h5-10,12-13H,4,11H2,1-3H3