2-chloranyl-4-nitro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide

Systemtic Name: 2-chloranyl-4-nitro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide Openeye Name: 2-chloro-4-nitro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide CAS Name: 2-chloro-4-nitro-N-[4-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]phenyl]benzamide IUPAC Name: 2-chloro-4-nitro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide Traditional Name: 2-chloro-4-nitro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide Formula: C18H15ClN6O4 MolecularWeight: 414.8025

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)N3C=NC=N3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)N3C=NC=N3

InChI

InChI=1S/C18H15ClN6O4/c1-11(24-10-20-9-21-24)17(26)22-12-2-4-13(5-3-12)23-18(27)15-7-6-14(25(28)29)8-16(15)19/h2-11H,1H3,(H,22,26)(H,23,27)