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

Systemtic Name: N-[2-[[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-3-nitro-N-propan-2-yl-benzamide Openeye Name: N-[2-[[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]amino]-2-oxo-ethyl]-N-isopropyl-3-nitro-benzamide CAS Name: N-[2-[[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]amino]-2-oxoethyl]-3-nitro-N-propan-2-ylbenzamide IUPAC Name: N-[2-[[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]-3-nitro-N-propan-2-ylbenzamide Traditional Name: N-[2-[[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]amino]-2-keto-ethyl]-N-isopropyl-3-nitro-benzamide Formula: C26H31N5O4 MolecularWeight: 477.55544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(C(C)C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(C(C)C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H31N5O4/c1-17(2)29(25(33)19-8-7-9-21(14-19)31(34)35)16-24(32)27-23-15-22(26(4,5)6)28-30(23)20-12-10-18(3)11-13-20/h7-15,17H,16H2,1-6H3,(H,27,32)