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

Systemtic Name: N-butyl-4-chloranyl-N-[2-[2-(2-ethylphenyl)-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-butyl-4-chloro-N-[2-[2-(2-ethylphenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-butyl-4-chloro-N-[2-[2-(2-ethylphenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-butyl-4-chloro-N-[2-[2-(2-ethylphenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-butyl-4-chloro-N-[2-[1-(2-ethylphenyl)-5-keto-3-propyl-3-pyrazolin-4-yl]-2-keto-ethyl]-3-nitro-benzamide Formula: C27H31ClN4O5 MolecularWeight: 527.01184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)C1=C(NN(C1=O)C2=CC=CC=C2CC)CCC)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC(=O)C1=C(NN(C1=O)C2=CC=CC=C2CC)CCC)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C27H31ClN4O5/c1-4-7-15-30(26(34)19-13-14-20(28)23(16-19)32(36)37)17-24(33)25-21(10-5-2)29-31(27(25)35)22-12-9-8-11-18(22)6-3/h8-9,11-14,16,29H,4-7,10,15,17H2,1-3H3