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

Systemtic Name: N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-2-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-2-(3-methoxy-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(1-benzyl-4-chloropyrazol-3-yl)-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide Traditional Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2-(3-methoxy-4-nitro-pyrazol-1-yl)propionamide Formula: C17H17ClN6O4 MolecularWeight: 404.80768

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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)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN6O4/c1-11(23-10-14(24(26)27)17(21-23)28-2)16(25)19-15-13(18)9-22(20-15)8-12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3,(H,19,20,25)