methyl 3-[2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(N-mesyl-2-methoxy-5-nitro-anilino)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C19H21N3O8S MolecularWeight: 451.45034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O8S/c1-12-5-6-13(19(24)30-3)9-15(12)20-18(23)11-21(31(4,27)28)16-10-14(22(25)26)7-8-17(16)29-2/h5-10H,11H2,1-4H3,(H,20,23)