N-butyl-4-chloranyl-N-[2-[2-(4-methylphenyl)-3-oxidanylidene-5-propan-2-yl-1H-pyrazol-4-yl]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-butyl-4-chloranyl-N-[2-[2-(4-methylphenyl)-3-oxidanylidene-5-propan-2-yl-1H-pyrazol-4-yl]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-butyl-4-chloro-N-[2-[5-isopropyl-3-oxo-2-(p-tolyl)-1H-pyrazol-4-yl]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-butyl-4-chloro-N-[2-[2-(4-methylphenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-butyl-4-chloro-N-[2-[2-(4-methylphenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-butyl-4-chloro-N-[2-[3-isopropyl-5-keto-1-(p-tolyl)-3-pyrazolin-4-yl]-2-keto-ethyl]-3-nitro-benzamide Formula: C26H29ClN4O5 MolecularWeight: 512.98526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)C1=C(NN(C1=O)C2=CC=C(C=C2)C)C(C)C)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC(=O)C1=C(NN(C1=O)C2=CC=C(C=C2)C)C(C)C)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C26H29ClN4O5/c1-5-6-13-29(25(33)18-9-12-20(27)21(14-18)31(35)36)15-22(32)23-24(16(2)3)28-30(26(23)34)19-10-7-17(4)8-11-19/h7-12,14,16,28H,5-6,13,15H2,1-4H3