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

Systemtic Name: N-[2-[[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-2-chloranyl-4-nitro-N-phenethyl-benzamide Openeye Name: N-[2-[[5-tert-butyl-2-(o-tolyl)pyrazol-3-yl]amino]-2-oxo-ethyl]-2-chloro-4-nitro-N-phenethyl-benzamide CAS Name: N-[2-[[5-tert-butyl-2-(2-methylphenyl)-3-pyrazolyl]amino]-2-oxoethyl]-2-chloro-4-nitro-N-phenethylbenzamide IUPAC Name: N-[2-[[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]-2-chloro-4-nitro-N-phenethylbenzamide Traditional Name: N-[2-[[5-tert-butyl-2-(o-tolyl)pyrazol-3-yl]amino]-2-keto-ethyl]-2-chloro-4-nitro-N-phenethyl-benzamide Formula: C31H32ClN5O4 MolecularWeight: 574.06988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(CCC3=CC=CC=C3)C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=CC=C1N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(CCC3=CC=CC=C3)C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C31H32ClN5O4/c1-21-10-8-9-13-26(21)36-28(19-27(34-36)31(2,3)4)33-29(38)20-35(17-16-22-11-6-5-7-12-22)30(39)24-15-14-23(37(40)41)18-25(24)32/h5-15,18-19H,16-17,20H2,1-4H3,(H,33,38)