ethyl (E)-4-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[(4-chloro-3-nitro-benzoyl)amino]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[(4-chloro-3-nitro-benzoyl)amino]thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C14H13ClN4O6S MolecularWeight: 400.79422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NNC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NNC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H13ClN4O6S/c1-2-25-12(21)6-5-11(20)16-14(26)18-17-13(22)8-3-4-9(15)10(7-8)19(23)24/h3-7H,2H2,1H3,(H,17,22)(H2,16,18,20,26)/b6-5+