N-[(2-chloranyl-5-nitro-phenyl)methyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide

Systemtic Name: N-[(2-chloranyl-5-nitro-phenyl)methyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide Openeye Name: N-[(2-chloro-5-nitro-phenyl)methyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide CAS Name: N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide IUPAC Name: N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide Traditional Name: N-(2-chloro-5-nitro-benzyl)-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide Formula: C18H16ClN5O3 MolecularWeight: 385.80434

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)C2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)C2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C18H16ClN5O3/c1-22(10-15-8-16(24(26)27)6-7-17(15)19)18(25)14-4-2-13(3-5-14)9-23-12-20-11-21-23/h2-8,11-12H,9-10H2,1H3