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

Systemtic Name: 2-(3-methoxy-4-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)-2-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide CAS Name: 2-(3-methoxy-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)-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide Traditional Name: N-(1-benzyl-1,2,4-triazol-3-yl)-2-(3-methoxy-4-nitro-pyrazol-1-yl)propionamide Formula: C16H17N7O4 MolecularWeight: 371.35068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NN(C=N1)CC2=CC=CC=C2)N3C=C(C(=N3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=NN(C=N1)CC2=CC=CC=C2)N3C=C(C(=N3)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H17N7O4/c1-11(22-9-13(23(25)26)15(19-22)27-2)14(24)18-16-17-10-21(20-16)8-12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3,(H,18,20,24)