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

Systemtic Name: ethyl 3-[2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanoylamino]-4-methyl-benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H23N3O8S MolecularWeight: 465.47692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O8S/c1-5-31-20(25)14-7-6-13(2)16(10-14)21-19(24)12-22(32(4,28)29)17-11-15(23(26)27)8-9-18(17)30-3/h6-11H,5,12H2,1-4H3,(H,21,24)