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

Systemtic Name: N-[2-[(5-tert-butyl-2-methyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-4-chloranyl-3-nitro-N-propyl-benzamide Openeye Name: N-[2-[(5-tert-butyl-2-methyl-pyrazol-3-yl)amino]-2-oxo-ethyl]-4-chloro-3-nitro-N-propyl-benzamide CAS Name: N-[2-[(5-tert-butyl-2-methyl-3-pyrazolyl)amino]-2-oxoethyl]-4-chloro-3-nitro-N-propylbenzamide IUPAC Name: N-[2-[(5-tert-butyl-2-methylpyrazol-3-yl)amino]-2-oxoethyl]-4-chloro-3-nitro-N-propylbenzamide Traditional Name: N-[2-[(5-tert-butyl-2-methyl-pyrazol-3-yl)amino]-2-keto-ethyl]-4-chloro-3-nitro-N-propyl-benzamide Formula: C20H26ClN5O4 MolecularWeight: 435.90454

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC(=NN1C)C(C)(C)C)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCN(CC(=O)NC1=CC(=NN1C)C(C)(C)C)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H26ClN5O4/c1-6-9-25(19(28)13-7-8-14(21)15(10-13)26(29)30)12-18(27)22-17-11-16(20(2,3)4)23-24(17)5/h7-8,10-11H,6,9,12H2,1-5H3,(H,22,27)