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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)NC2=NN(C=N2)CC3=CC=CC=C3

Isomeric SMILES

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)NC2=NN(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C16H17N7O4/c1-27-15-13(23(25)26)10-21(19-15)8-7-14(24)18-16-17-11-22(20-16)9-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3,(H,18,20,24)