4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]-N-(4-methoxyphenyl)benzamide

Systemtic Name: 4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]-N-(4-methoxyphenyl)benzamide Openeye Name: 4-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide CAS Name: 4-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide IUPAC Name: 4-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide Traditional Name: 4-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O5/c1-13-20(26(29)30)14(2)25(24-13)12-19(27)22-16-6-4-15(5-7-16)21(28)23-17-8-10-18(31-3)11-9-17/h4-11H,12H2,1-3H3,(H,22,27)(H,23,28)