2-methoxyethyl 4-[(4-nitro-2-oxidanyl-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[(4-nitro-2-oxidanyl-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[(2-hydroxy-4-nitro-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2-hydroxy-4-nitroanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[(2-hydroxy-4-nitrophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(2-hydroxy-4-nitro-phenyl)thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C14H17N3O7S MolecularWeight: 371.36568

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])O

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])O

InChI

InChI=1S/C14H17N3O7S/c1-23-6-7-24-13(20)5-4-12(19)16-14(25)15-10-3-2-9(17(21)22)8-11(10)18/h2-3,8,18H,4-7H2,1H3,(H2,15,16,19,25)