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

Systemtic Name: N-butyl-N-[2-[[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-2-chloranyl-4-nitro-benzamide Openeye Name: N-butyl-N-[2-[[5-tert-butyl-2-(o-tolyl)pyrazol-3-yl]amino]-2-oxo-ethyl]-2-chloro-4-nitro-benzamide CAS Name: N-butyl-N-[2-[[5-tert-butyl-2-(2-methylphenyl)-3-pyrazolyl]amino]-2-oxoethyl]-2-chloro-4-nitrobenzamide IUPAC Name: N-butyl-N-[2-[[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]-2-chloro-4-nitrobenzamide Traditional Name: N-butyl-N-[2-[[5-tert-butyl-2-(o-tolyl)pyrazol-3-yl]amino]-2-keto-ethyl]-2-chloro-4-nitro-benzamide Formula: C27H32ClN5O4 MolecularWeight: 526.02708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)NC1=CC(=NN1C2=CC=CC=C2C)C(C)(C)C)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCN(CC(=O)NC1=CC(=NN1C2=CC=CC=C2C)C(C)(C)C)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C27H32ClN5O4/c1-6-7-14-31(26(35)20-13-12-19(33(36)37)15-21(20)28)17-25(34)29-24-16-23(27(3,4)5)30-32(24)22-11-9-8-10-18(22)2/h8-13,15-16H,6-7,14,17H2,1-5H3,(H,29,34)