ethyl 3-(3-nitro-4-oxidanyl-phenyl)-3-oxidanyl-2-[[4-oxidanylidene-4-[(4-sulfamoylphenyl)amino]butanoyl]amino]propanoate

Systemtic Name: ethyl 3-(3-nitro-4-oxidanyl-phenyl)-3-oxidanyl-2-[[4-oxidanylidene-4-[(4-sulfamoylphenyl)amino]butanoyl]amino]propanoate Openeye Name: ethyl 3-hydroxy-3-(4-hydroxy-3-nitro-phenyl)-2-[[4-oxo-4-(4-sulfamoylanilino)butanoyl]amino]propanoate CAS Name: 2-[[1,4-dioxo-4-(4-sulfamoylanilino)butyl]amino]-3-hydroxy-3-(4-hydroxy-3-nitrophenyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-hydroxy-3-(4-hydroxy-3-nitrophenyl)-2-[[4-oxo-4-(4-sulfamoylanilino)butanoyl]amino]propanoate Traditional Name: 3-hydroxy-3-(4-hydroxy-3-nitro-phenyl)-2-[[4-keto-4-(4-sulfamoylanilino)butanoyl]amino]propionic acid ethyl ester Formula: C21H24N4O10S MolecularWeight: 524.50106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC(=C(C=C1)O)[N+](=O)[O-])O)NC(=O)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)C(C(C1=CC(=C(C=C1)O)[N+](=O)[O-])O)NC(=O)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C21H24N4O10S/c1-2-35-21(30)19(20(29)12-3-8-16(26)15(11-12)25(31)32)24-18(28)10-9-17(27)23-13-4-6-14(7-5-13)36(22,33)34/h3-8,11,19-20,26,29H,2,9-10H2,1H3,(H,23,27)(H,24,28)(H2,22,33,34)