ethyl 2-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonylamino]ethanoate

Systemtic Name: ethyl 2-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonylamino]ethanoate Openeye Name: ethyl 2-[(3-chloro-6-nitro-benzothiophene-2-carbonyl)amino]acetate CAS Name: 2-[[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(3-chloro-6-nitro-benzothiophene-2-carbonyl)amino]acetic acid ethyl ester Formula: C13H11ClN2O5S MolecularWeight: 342.75484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C1=C(C2=C(S1)C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)CNC(=O)C1=C(C2=C(S1)C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H11ClN2O5S/c1-2-21-10(17)6-15-13(18)12-11(14)8-4-3-7(16(19)20)5-9(8)22-12/h3-5H,2,6H2,1H3,(H,15,18)