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

Systemtic Name: N-butyl-N-[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-butyl-N-[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-butyl-N-[2-[(5-tert-butyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-butyl-N-[2-[(5-tert-butyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-butyl-N-[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl]-3-nitro-benzamide Formula: C26H31N5O4 MolecularWeight: 477.55544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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