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

Systemtic Name: propyl 4-[(2-chloranyl-4-nitro-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[(2-chloro-4-nitro-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2-chloro-4-nitroanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[(2-chloro-4-nitrophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(2-chloro-4-nitro-phenyl)thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C14H16ClN3O5S MolecularWeight: 373.81194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN3O5S/c1-2-7-23-13(20)6-5-12(19)17-14(24)16-11-4-3-9(18(21)22)8-10(11)15/h3-4,8H,2,5-7H2,1H3,(H2,16,17,19,24)