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

Systemtic Name: N-butyl-N-[2-[[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-butyl-N-[2-[[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-butyl-N-[2-[[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-butyl-N-[2-[[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-butyl-N-[2-[[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]amino]-2-keto-ethyl]-3-nitro-benzamide Formula: C27H33N5O4 MolecularWeight: 491.58202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N5O4/c1-6-7-15-30(26(34)20-9-8-10-22(16-20)32(35)36)18-25(33)28-24-17-23(27(3,4)5)29-31(24)21-13-11-19(2)12-14-21/h8-14,16-17H,6-7,15,18H2,1-5H3,(H,28,33)