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

Systemtic Name: ethyl 3-chloranyl-4-[2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 3-chloro-4-[[2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)acetyl]amino]benzoate CAS Name: 3-chloro-4-[[2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[[2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetyl]amino]benzoate Traditional Name: 3-chloro-4-[[2-(N-mesyl-2-methyl-5-nitro-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C19H20ClN3O7S MolecularWeight: 469.896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O7S/c1-4-30-19(25)13-6-8-16(15(20)9-13)21-18(24)11-22(31(3,28)29)17-10-14(23(26)27)7-5-12(17)2/h5-10H,4,11H2,1-3H3,(H,21,24)