3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]propanamide Openeye Name: N-(1-benzyl-1,2,4-triazol-3-yl)-3-(4-bromo-3-nitro-pyrazol-1-yl)propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]propanamide IUPAC Name: N-(1-benzyl-1,2,4-triazol-3-yl)-3-(4-bromo-3-nitropyrazol-1-yl)propanamide Traditional Name: N-(1-benzyl-1,2,4-triazol-3-yl)-3-(4-bromo-3-nitro-pyrazol-1-yl)propionamide Formula: C15H14BrN7O3 MolecularWeight: 420.22076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C15H14BrN7O3/c16-12-9-21(19-14(12)23(25)26)7-6-13(24)18-15-17-10-22(20-15)8-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2,(H,18,20,24)