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

Systemtic Name: 4-chloranyl-N-[[1-(4-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]methyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[1-(4-ethoxyphenyl)-5-tetrazolyl]methyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-nitrobenzamide Traditional Name: 4-chloro-3-nitro-N-[(1-p-phenetyltetrazol-5-yl)methyl]benzamide Formula: C17H15ClN6O4 MolecularWeight: 402.7918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN6O4/c1-2-28-13-6-4-12(5-7-13)23-16(20-21-22-23)10-19-17(25)11-3-8-14(18)15(9-11)24(26)27/h3-9H,2,10H2,1H3,(H,19,25)