3-nitro-N-[1-oxidanylidene-1-(propylamino)propan-2-yl]-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: 3-nitro-N-[1-oxidanylidene-1-(propylamino)propan-2-yl]-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[1-methyl-2-oxo-2-(propylamino)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: 3-nitro-N-[1-oxo-1-(propylamino)propan-2-yl]-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: 3-nitro-N-[1-oxo-1-(propylamino)propan-2-yl]-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[2-keto-1-methyl-2-(propylamino)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C15H18N6O4 MolecularWeight: 346.34122

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)C1=CC(=C(C=C1)N2C=NC=N2)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)C(C)NC(=O)C1=CC(=C(C=C1)N2C=NC=N2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N6O4/c1-3-6-17-14(22)10(2)19-15(23)11-4-5-12(13(7-11)21(24)25)20-9-16-8-18-20/h4-5,7-10H,3,6H2,1-2H3,(H,17,22)(H,19,23)