4-[[1-[(2-chloranyl-4-nitro-phenoxy)methyl]pyrazol-3-yl]carbonylamino]-1-ethyl-pyrazole-3-carboxamide

Systemtic Name: 4-[[1-[(2-chloranyl-4-nitro-phenoxy)methyl]pyrazol-3-yl]carbonylamino]-1-ethyl-pyrazole-3-carboxamide Openeye Name: 4-[[1-[(2-chloro-4-nitro-phenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-pyrazole-3-carboxamide CAS Name: 4-[[[1-[(2-chloro-4-nitrophenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]-1-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-[[1-[(2-chloro-4-nitrophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide Traditional Name: 4-[[1-[(2-chloro-4-nitro-phenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-pyrazole-3-carboxamide Formula: C17H16ClN7O5 MolecularWeight: 433.80584

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)N)NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)N)NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H16ClN7O5/c1-2-23-8-13(15(22-23)16(19)26)20-17(27)12-5-6-24(21-12)9-30-14-4-3-10(25(28)29)7-11(14)18/h3-8H,2,9H2,1H3,(H2,19,26)(H,20,27)