N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-2-(4-nitropyrazol-1-yl)propanamide

Systemtic Name: N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-2-(4-nitropyrazol-1-yl)propanamide Openeye Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2-(4-nitropyrazol-1-yl)propanamide CAS Name: N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-2-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-nitropyrazol-1-yl)propanamide Traditional Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2-(4-nitropyrazol-1-yl)propionamide Formula: C16H15ClN6O3 MolecularWeight: 374.7817

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NN(C=C1Cl)CC2=CC=CC=C2)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=NN(C=C1Cl)CC2=CC=CC=C2)N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H15ClN6O3/c1-11(22-9-13(7-18-22)23(25)26)16(24)19-15-14(17)10-21(20-15)8-12-5-3-2-4-6-12/h2-7,9-11H,8H2,1H3,(H,19,20,24)