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

Systemtic Name: 4-(azepan-1-yl)-3-nitro-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Openeye Name: 4-(azepan-1-yl)-3-nitro-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate CAS Name: 4-(1-azepanyl)-3-nitro-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate IUPAC Name: 4-(azepan-1-yl)-3-nitro-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Traditional Name: 4-(azepan-1-yl)-3-nitro-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Formula: C15H17N6O3- MolecularWeight: 329.33388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=NC3=NC=NN3)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=NC3=NC=NN3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H18N6O3/c22-14(18-15-16-10-17-19-15)11-5-6-12(13(9-11)21(23)24)20-7-3-1-2-4-8-20/h5-6,9-10H,1-4,7-8H2,(H2,16,17,18,19,22)/p-1