4-[[4-[(4-chloranyl-3-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]-1-ethyl-pyrazole-3-carboxamide

Systemtic Name: 4-[[4-[(4-chloranyl-3-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]-1-ethyl-pyrazole-3-carboxamide Openeye Name: 4-[[4-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]benzoyl]amino]-1-ethyl-pyrazole-3-carboxamide CAS Name: 4-[[[4-[(4-chloro-3-nitro-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]-1-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-[[4-[(4-chloro-3-nitropyrazol-1-yl)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxamide Traditional Name: 4-[[4-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]benzoyl]amino]-1-ethyl-pyrazole-3-carboxamide Formula: C17H16ClN7O4 MolecularWeight: 417.80644

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)N)NC(=O)C2=CC=C(C=C2)CN3C=C(C(=N3)[N+](=O)[O-])Cl

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)N)NC(=O)C2=CC=C(C=C2)CN3C=C(C(=N3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H16ClN7O4/c1-2-23-9-13(14(21-23)15(19)26)20-17(27)11-5-3-10(4-6-11)7-24-8-12(18)16(22-24)25(28)29/h3-6,8-9H,2,7H2,1H3,(H2,19,26)(H,20,27)