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

Systemtic Name: N-[2-[[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-3-nitro-N-phenethyl-benzamide Openeye Name: N-[2-[[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]amino]-2-oxo-ethyl]-3-nitro-N-phenethyl-benzamide CAS Name: N-[2-[[5-tert-butyl-2-(2-chlorophenyl)-3-pyrazolyl]amino]-2-oxoethyl]-3-nitro-N-phenethylbenzamide IUPAC Name: N-[2-[[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]amino]-2-oxoethyl]-3-nitro-N-phenethylbenzamide Traditional Name: N-[2-[[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]amino]-2-keto-ethyl]-3-nitro-N-phenethyl-benzamide Formula: C30H30ClN5O4 MolecularWeight: 560.0433

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CN(CCC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4Cl

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CN(CCC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4Cl

InChI

InChI=1S/C30H30ClN5O4/c1-30(2,3)26-19-27(35(33-26)25-15-8-7-14-24(25)31)32-28(37)20-34(17-16-21-10-5-4-6-11-21)29(38)22-12-9-13-23(18-22)36(39)40/h4-15,18-19H,16-17,20H2,1-3H3,(H,32,37)