2-[[[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamothioylamino]methoxy]ethyl ethanoate

Systemtic Name: 2-[[[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamothioylamino]methoxy]ethyl ethanoate Openeye Name: 2-[[[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamothioylamino]methoxy]ethyl acetate CAS Name: acetic acid 2-[[[[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-sulfanylidenemethyl]amino]methoxy]ethyl ester IUPAC Name: 2-[[[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]carbamothioylamino]methoxy]ethyl acetate Traditional Name: acetic acid 2-[[[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]thiocarbamoylamino]methoxy]ethyl ester Formula: C13H16N4O6S MolecularWeight: 356.35434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCOCNC(=S)NNC=C1C=C(C=CC1=O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCOCNC(=S)NNC=C1C=C(C=CC1=O)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O6S/c1-9(18)23-5-4-22-8-14-13(24)16-15-7-10-6-11(17(20)21)2-3-12(10)19/h2-3,6-7,15H,4-5,8H2,1H3,(H2,14,16,24)