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

Systemtic Name: methyl 2-[(2-methyl-5-nitro-phenyl)-(phenylsulfonyl)amino]ethanoate Openeye Name: methyl 2-[N-(benzenesulfonyl)-2-methyl-5-nitro-anilino]acetate CAS Name: 2-[N-(benzenesulfonyl)-2-methyl-5-nitroanilino]acetic acid methyl ester IUPAC Name: methyl 2-[N-(benzenesulfonyl)-2-methyl-5-nitroanilino]acetate Traditional Name: 2-(N-besyl-2-methyl-5-nitro-anilino)acetic acid methyl ester Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)OC)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)OC)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H16N2O6S/c1-12-8-9-13(18(20)21)10-15(12)17(11-16(19)24-2)25(22,23)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3