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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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