ethyl 2-[2-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethylamino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethylamino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-[2-(2-chloro-4-nitro-anilino)ethylamino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[2-(2-chloro-4-nitroanilino)ethylamino]-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(2-chloro-4-nitroanilino)ethylamino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[2-(2-chloro-4-nitro-anilino)ethylamino]-2-keto-ethyl]thio]acetic acid ethyl ester Formula: C14H18ClN3O5S MolecularWeight: 375.82782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)NCCNC1=C(C=C(C=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)CSCC(=O)NCCNC1=C(C=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H18ClN3O5S/c1-2-23-14(20)9-24-8-13(19)17-6-5-16-12-4-3-10(18(21)22)7-11(12)15/h3-4,7,16H,2,5-6,8-9H2,1H3,(H,17,19)