methyl 2-[(3-nitro-1-benzothiophen-2-yl)amino]ethanoate

Systemtic Name: methyl 2-[(3-nitro-1-benzothiophen-2-yl)amino]ethanoate Openeye Name: methyl 2-[(3-nitrobenzothiophen-2-yl)amino]acetate CAS Name: 2-[(3-nitro-1-benzothiophen-2-yl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[(3-nitro-1-benzothiophen-2-yl)amino]acetate Traditional Name: 2-[(3-nitrobenzothiophen-2-yl)amino]acetic acid methyl ester Formula: C11H10N2O4S MolecularWeight: 266.2731

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC1=C(C2=CC=CC=C2S1)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CNC1=C(C2=CC=CC=C2S1)[N+](=O)[O-]

InChI

InChI=1S/C11H10N2O4S/c1-17-9(14)6-12-11-10(13(15)16)7-4-2-3-5-8(7)18-11/h2-5,12H,6H2,1H3