ethyl (E)-4-[[(2-nitrophenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[(2-nitrophenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[(2-nitrobenzoyl)amino]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[[(2-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[(2-nitrobenzoyl)amino]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[[(2-nitrobenzoyl)amino]thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C14H14N4O6S MolecularWeight: 366.34916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O6S/c1-2-24-12(20)8-7-11(19)15-14(25)17-16-13(21)9-5-3-4-6-10(9)18(22)23/h3-8H,2H2,1H3,(H,16,21)(H2,15,17,19,25)/b8-7+