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

Systemtic Name: methyl 4-chloranyl-3-[2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)acetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-(N-mesyl-2-methoxy-5-nitro-anilino)acetyl]amino]benzoic acid methyl ester Formula: C18H18ClN3O8S MolecularWeight: 471.86882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)S(=O)(=O)C

InChI

InChI=1S/C18H18ClN3O8S/c1-29-16-7-5-12(22(25)26)9-15(16)21(31(3,27)28)10-17(23)20-14-8-11(18(24)30-2)4-6-13(14)19/h4-9H,10H2,1-3H3,(H,20,23)