N-butyl-N-[2-[[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-butyl-N-[2-[[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-butyl-N-[2-[[5-tert-butyl-2-(m-tolyl)pyrazol-3-yl]amino]-2-oxo-ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-butyl-N-[2-[[5-tert-butyl-2-(3-methylphenyl)-3-pyrazolyl]amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-butyl-N-[2-[[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-butyl-N-[2-[[5-tert-butyl-2-(m-tolyl)pyrazol-3-yl]amino]-2-keto-ethyl]-4-methyl-3-nitro-benzamide Formula: C28H35N5O4 MolecularWeight: 505.6086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)NC1=CC(=NN1C2=CC=CC(=C2)C)C(C)(C)C)C(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC(=O)NC1=CC(=NN1C2=CC=CC(=C2)C)C(C)(C)C)C(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C28H35N5O4/c1-7-8-14-31(27(35)21-13-12-20(3)23(16-21)33(36)37)18-26(34)29-25-17-24(28(4,5)6)30-32(25)22-11-9-10-19(2)15-22/h9-13,15-17H,7-8,14,18H2,1-6H3,(H,29,34)