ethyl (E)-3-[[1-[(2-chloranyl-4-nitro-phenoxy)methyl]pyrazol-3-yl]carbonylamino]but-2-enoate

Systemtic Name: ethyl (E)-3-[[1-[(2-chloranyl-4-nitro-phenoxy)methyl]pyrazol-3-yl]carbonylamino]but-2-enoate Openeye Name: ethyl (E)-3-[[1-[(2-chloro-4-nitro-phenoxy)methyl]pyrazole-3-carbonyl]amino]but-2-enoate CAS Name: (E)-3-[[[1-[(2-chloro-4-nitrophenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[[1-[(2-chloro-4-nitrophenoxy)methyl]pyrazole-3-carbonyl]amino]but-2-enoate Traditional Name: (E)-3-[[1-[(2-chloro-4-nitro-phenoxy)methyl]pyrazole-3-carbonyl]amino]but-2-enoic acid ethyl ester Formula: C17H17ClN4O6 MolecularWeight: 408.79308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC(=O)C1=NN(C=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC(=O)C1=NN(C=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H17ClN4O6/c1-3-27-16(23)8-11(2)19-17(24)14-6-7-21(20-14)10-28-15-5-4-12(22(25)26)9-13(15)18/h4-9H,3,10H2,1-2H3,(H,19,24)/b11-8+