N-[3-[2-(3-nitro-1,2,4-triazol-1-yl)ethanoylamino]phenyl]propanamide

Systemtic Name: N-[3-[2-(3-nitro-1,2,4-triazol-1-yl)ethanoylamino]phenyl]propanamide Openeye Name: N-[3-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]phenyl]propanamide CAS Name: N-[3-[[2-(3-nitro-1,2,4-triazol-1-yl)-1-oxoethyl]amino]phenyl]propanamide IUPAC Name: N-[3-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]phenyl]propanamide Traditional Name: N-[3-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]phenyl]propionamide Formula: C13H14N6O4 MolecularWeight: 318.28806

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=CC=C1)NC(=O)CN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=CC(=CC=C1)NC(=O)CN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N6O4/c1-2-11(20)15-9-4-3-5-10(6-9)16-12(21)7-18-8-14-13(17-18)19(22)23/h3-6,8H,2,7H2,1H3,(H,15,20)(H,16,21)