methyl 2-[(2-methoxy-5-nitro-phenyl)-(phenylsulfonyl)amino]ethanoate

Systemtic Name: methyl 2-[(2-methoxy-5-nitro-phenyl)-(phenylsulfonyl)amino]ethanoate Openeye Name: methyl 2-[N-(benzenesulfonyl)-2-methoxy-5-nitro-anilino]acetate CAS Name: 2-[N-(benzenesulfonyl)-2-methoxy-5-nitroanilino]acetic acid methyl ester IUPAC Name: methyl 2-[N-(benzenesulfonyl)-2-methoxy-5-nitroanilino]acetate Traditional Name: 2-(N-besyl-2-methoxy-5-nitro-anilino)acetic acid methyl ester Formula: C16H16N2O7S MolecularWeight: 380.37244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)OC)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)OC)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H16N2O7S/c1-24-15-9-8-12(18(20)21)10-14(15)17(11-16(19)25-2)26(22,23)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3