3-nitro-N-(3-pyrazol-1-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: 3-nitro-N-(3-pyrazol-1-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: 3-nitro-N-(3-pyrazol-1-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide CAS Name: 3-nitro-N-[3-(1-pyrazolyl)propyl]-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: 3-nitro-N-(3-pyrazol-1-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: 3-nitro-N-(3-pyrazol-1-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide Formula: C15H15N7O3 MolecularWeight: 341.3247

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)CCCNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CN(N=C1)CCCNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C15H15N7O3/c23-15(17-5-1-7-20-8-2-6-18-20)12-3-4-13(14(9-12)22(24)25)21-11-16-10-19-21/h2-4,6,8-11H,1,5,7H2,(H,17,23)