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

Systemtic Name: N-[2-[[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-2-chloranyl-4-nitro-N-propyl-benzamide Openeye Name: N-[2-[[5-tert-butyl-2-(m-tolyl)pyrazol-3-yl]amino]-2-oxo-ethyl]-2-chloro-4-nitro-N-propyl-benzamide CAS Name: N-[2-[[5-tert-butyl-2-(3-methylphenyl)-3-pyrazolyl]amino]-2-oxoethyl]-2-chloro-4-nitro-N-propylbenzamide IUPAC Name: N-[2-[[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]-2-chloro-4-nitro-N-propylbenzamide Traditional Name: N-[2-[[5-tert-butyl-2-(m-tolyl)pyrazol-3-yl]amino]-2-keto-ethyl]-2-chloro-4-nitro-N-propyl-benzamide Formula: C26H30ClN5O4 MolecularWeight: 512.0005

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30ClN5O4/c1-6-12-30(25(34)20-11-10-19(32(35)36)14-21(20)27)16-24(33)28-23-15-22(26(3,4)5)29-31(23)18-9-7-8-17(2)13-18/h7-11,13-15H,6,12,16H2,1-5H3,(H,28,33)