N-[[1-(4-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]methyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[[1-(4-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]methyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[1-(4-ethoxyphenyl)-5-tetrazolyl]methyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-2-methyl-3-nitrobenzamide Traditional Name: 2-methyl-3-nitro-N-[(1-p-phenetyltetrazol-5-yl)methyl]benzamide Formula: C18H18N6O4 MolecularWeight: 382.37332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=N2)CNC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=N2)CNC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H18N6O4/c1-3-28-14-9-7-13(8-10-14)23-17(20-21-22-23)11-19-18(25)15-5-4-6-16(12(15)2)24(26)27/h4-10H,3,11H2,1-2H3,(H,19,25)