methyl 2-[(2-methyl-3-nitro-phenyl)-(phenylsulfonyl)amino]ethanoate

Systemtic Name: methyl 2-[(2-methyl-3-nitro-phenyl)-(phenylsulfonyl)amino]ethanoate Openeye Name: methyl 2-[N-(benzenesulfonyl)-2-methyl-3-nitro-anilino]acetate CAS Name: 2-[N-(benzenesulfonyl)-2-methyl-3-nitroanilino]acetic acid methyl ester IUPAC Name: methyl 2-[N-(benzenesulfonyl)-2-methyl-3-nitroanilino]acetate Traditional Name: 2-(N-besyl-2-methyl-3-nitro-anilino)acetic acid methyl ester Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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