ethyl 4-[(2-chloranyl-4-nitro-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(2-chloranyl-4-nitro-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(2-chloro-4-nitro-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2-chloro-4-nitroanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(2-chloro-4-nitrophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(2-chloro-4-nitro-phenyl)thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C13H14ClN3O5S MolecularWeight: 359.78536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClN3O5S/c1-2-22-12(19)6-5-11(18)16-13(23)15-10-4-3-8(17(20)21)7-9(10)14/h3-4,7H,2,5-6H2,1H3,(H2,15,16,18,23)