4-(cyclopropylamino)-3-nitro-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate

Systemtic Name: 4-(cyclopropylamino)-3-nitro-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Openeye Name: 4-(cyclopropylamino)-3-nitro-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate CAS Name: 4-(cyclopropylamino)-3-nitro-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate IUPAC Name: 4-(cyclopropylamino)-3-nitro-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Traditional Name: 4-(cyclopropylamino)-3-nitro-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Formula: C12H11N6O3- MolecularWeight: 287.25414

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=NC3=NC=NN3)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=NC3=NC=NN3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H12N6O3/c19-11(16-12-13-6-14-17-12)7-1-4-9(15-8-2-3-8)10(5-7)18(20)21/h1,4-6,8,15H,2-3H2,(H2,13,14,16,17,19)/p-1