methyl 5-[[bis[(4-nitrophenyl)sulfonyl]amino]methyl]cyclohexa-1,3-diene-1-carboxylate

Systemtic Name: methyl 5-[[bis[(4-nitrophenyl)sulfonyl]amino]methyl]cyclohexa-1,3-diene-1-carboxylate Openeye Name: methyl 5-[[bis[(4-nitrophenyl)sulfonyl]amino]methyl]cyclohexa-1,3-diene-1-carboxylate CAS Name: 5-[[bis[(4-nitrophenyl)sulfonyl]amino]methyl]-1-cyclohexa-1,3-dienecarboxylic acid methyl ester IUPAC Name: methyl 5-[[bis[(4-nitrophenyl)sulfonyl]amino]methyl]cyclohexa-1,3-diene-1-carboxylate Traditional Name: 5-[(dinosylamino)methyl]cyclohexa-1,3-diene-1-carboxylic acid methyl ester Formula: C21H19N3O10S2 MolecularWeight: 537.51966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(C1)CN(S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC(C1)CN(S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O10S2/c1-34-21(25)16-4-2-3-15(13-16)14-22(35(30,31)19-9-5-17(6-10-19)23(26)27)36(32,33)20-11-7-18(8-12-20)24(28)29/h2-12,15H,13-14H2,1H3