ethyl (E)-3-[(4-chloranyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]but-2-enoate

Systemtic Name: ethyl (E)-3-[(4-chloranyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]but-2-enoate Openeye Name: ethyl (E)-3-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]but-2-enoate CAS Name: (E)-3-[[(4-chloro-3-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]but-2-enoate Traditional Name: (E)-3-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]but-2-enoic acid ethyl ester Formula: C10H11ClN4O5 MolecularWeight: 302.67114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC(=O)C1=C(C(=NN1)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC(=O)C1=C(C(=NN1)[N+](=O)[O-])Cl

InChI

InChI=1S/C10H11ClN4O5/c1-3-20-6(16)4-5(2)12-10(17)8-7(11)9(14-13-8)15(18)19/h4H,3H2,1-2H3,(H,12,17)(H,13,14)/b5-4+