ethyl 3-[methylsulfonyl-[5-(4-nitrophenyl)furan-2-yl]carbonyl-amino]benzoate

Systemtic Name: ethyl 3-[methylsulfonyl-[5-(4-nitrophenyl)furan-2-yl]carbonyl-amino]benzoate Openeye Name: ethyl 3-[methylsulfonyl-[5-(4-nitrophenyl)furan-2-carbonyl]amino]benzoate CAS Name: 3-[methylsulfonyl-[[5-(4-nitrophenyl)-2-furanyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[methylsulfonyl-[5-(4-nitrophenyl)furan-2-carbonyl]amino]benzoate Traditional Name: 3-[mesyl-[5-(4-nitrophenyl)-2-furoyl]amino]benzoic acid ethyl ester Formula: C21H18N2O8S MolecularWeight: 458.44122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N(C(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N(C(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C21H18N2O8S/c1-3-30-21(25)15-5-4-6-17(13-15)22(32(2,28)29)20(24)19-12-11-18(31-19)14-7-9-16(10-8-14)23(26)27/h4-13H,3H2,1-2H3