N-[2-(3-methylphenoxy)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[2-(3-methylphenoxy)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[2-(3-methylphenoxy)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[2-(3-methylphenoxy)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[2-(3-methylphenoxy)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[2-(3-methylphenoxy)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C18H17N5O4 MolecularWeight: 367.35868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O4/c1-13-3-2-4-15(9-13)27-8-7-20-18(24)14-5-6-16(17(10-14)23(25)26)22-12-19-11-21-22/h2-6,9-12H,7-8H2,1H3,(H,20,24)