methyl 2-methyl-3-[2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-methyl-3-[2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 2-methyl-3-[[2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)acetyl]amino]benzoate CAS Name: 2-methyl-3-[[2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-methyl-3-[[2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(N-mesyl-2-methyl-5-nitro-anilino)acetyl]amino]-2-methyl-benzoic acid methyl ester Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=CC=CC(=C2C)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=CC=CC(=C2C)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C19H21N3O7S/c1-12-8-9-14(22(25)26)10-17(12)21(30(4,27)28)11-18(23)20-16-7-5-6-15(13(16)2)19(24)29-3/h5-10H,11H2,1-4H3,(H,20,23)