ethyl (E)-4-[(4-nitro-2-oxidanyl-phenyl)carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[(4-nitro-2-oxidanyl-phenyl)carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[(2-hydroxy-4-nitro-phenyl)carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[(2-hydroxy-4-nitroanilino)-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(2-hydroxy-4-nitrophenyl)carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[(2-hydroxy-4-nitro-phenyl)thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C13H13N3O6S MolecularWeight: 339.32382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])O

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])O

InChI

InChI=1S/C13H13N3O6S/c1-2-22-12(19)6-5-11(18)15-13(23)14-9-4-3-8(16(20)21)7-10(9)17/h3-7,17H,2H2,1H3,(H2,14,15,18,23)/b6-5+