N-[5-tert-butyl-4-chloranyl-2-[(3-nitrophenyl)carbonylamino]pyrazol-3-yl]-3-nitro-benzamide

Systemtic Name: N-[5-tert-butyl-4-chloranyl-2-[(3-nitrophenyl)carbonylamino]pyrazol-3-yl]-3-nitro-benzamide Openeye Name: N-[5-tert-butyl-4-chloro-2-[(3-nitrobenzoyl)amino]pyrazol-3-yl]-3-nitro-benzamide CAS Name: N-[5-tert-butyl-4-chloro-2-[[(3-nitrophenyl)-oxomethyl]amino]-3-pyrazolyl]-3-nitrobenzamide IUPAC Name: N-[5-tert-butyl-4-chloro-2-[(3-nitrobenzoyl)amino]pyrazol-3-yl]-3-nitrobenzamide Traditional Name: N-[5-tert-butyl-4-chloro-2-[(3-nitrobenzoyl)amino]pyrazol-3-yl]-3-nitro-benzamide Formula: C21H19ClN6O6 MolecularWeight: 486.86516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1Cl)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1Cl)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19ClN6O6/c1-21(2,3)17-16(22)18(23-19(29)12-6-4-8-14(10-12)27(31)32)26(24-17)25-20(30)13-7-5-9-15(11-13)28(33)34/h4-11H,1-3H3,(H,23,29)(H,25,30)