3-[(4-nitrophenyl)carbonylamino]-N-(1H-1,2,4-triazol-5-yl)propanimidate

Systemtic Name: 3-[(4-nitrophenyl)carbonylamino]-N-(1H-1,2,4-triazol-5-yl)propanimidate Openeye Name: 3-[(4-nitrobenzoyl)amino]-N-(1H-1,2,4-triazol-5-yl)propanimidate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]-N-(1H-1,2,4-triazol-5-yl)propanimidate IUPAC Name: 3-[(4-nitrobenzoyl)amino]-N-(1H-1,2,4-triazol-5-yl)propanimidate Traditional Name: 3-[(4-nitrobenzoyl)amino]-N-(1H-1,2,4-triazol-5-yl)propionimidate Formula: C12H11N6O4- MolecularWeight: 303.25354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCC(=NC2=NC=NN2)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCC(=NC2=NC=NN2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H12N6O4/c19-10(16-12-14-7-15-17-12)5-6-13-11(20)8-1-3-9(4-2-8)18(21)22/h1-4,7H,5-6H2,(H,13,20)(H2,14,15,16,17,19)/p-1