propyl 4-[(5-nitro-2-oxidanyl-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[(5-nitro-2-oxidanyl-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[(2-hydroxy-5-nitro-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[(2-hydroxy-5-nitrophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(2-hydroxy-5-nitro-phenyl)thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C14H17N3O6S MolecularWeight: 355.36628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O6S/c1-2-7-23-13(20)6-5-12(19)16-14(24)15-10-8-9(17(21)22)3-4-11(10)18/h3-4,8,18H,2,5-7H2,1H3,(H2,15,16,19,24)