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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(C(C)C)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=CC=C1N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(C(C)C)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

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