3-(4-nitropyrazol-1-yl)-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-(4-nitropyrazol-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-nitropyrazol-1-yl)propanamide CAS Name: 3-(4-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-nitropyrazol-1-yl)propanamide Traditional Name: N-(1-benzyl-1,2,4-triazol-3-yl)-3-(4-nitropyrazol-1-yl)propionamide Formula: C15H15N7O3 MolecularWeight: 341.3247

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C15H15N7O3/c23-14(6-7-20-10-13(8-17-20)22(24)25)18-15-16-11-21(19-15)9-12-4-2-1-3-5-12/h1-5,8,10-11H,6-7,9H2,(H,18,19,23)