5-[4-chloranyl-2-(1,2,4-triazol-1-ylmethyl)phenoxy]-N-ethyl-2-nitro-aniline

Systemtic Name: 5-[4-chloranyl-2-(1,2,4-triazol-1-ylmethyl)phenoxy]-N-ethyl-2-nitro-aniline Openeye Name: 5-[4-chloro-2-(1,2,4-triazol-1-ylmethyl)phenoxy]-N-ethyl-2-nitro-aniline CAS Name: 5-[4-chloro-2-(1,2,4-triazol-1-ylmethyl)phenoxy]-N-ethyl-2-nitroaniline IUPAC Name: 5-[4-chloro-2-(1,2,4-triazol-1-ylmethyl)phenoxy]-N-ethyl-2-nitroaniline Traditional Name: [5-[4-chloro-2-(1,2,4-triazol-1-ylmethyl)phenoxy]-2-nitro-phenyl]-ethyl-amine Formula: C17H16ClN5O3 MolecularWeight: 373.79364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)CN3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)CN3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClN5O3/c1-2-20-15-8-14(4-5-16(15)23(24)25)26-17-6-3-13(18)7-12(17)9-22-11-19-10-21-22/h3-8,10-11,20H,2,9H2,1H3