ethyl 2-(6-nitro-1,3-benzodioxol-5-yl)-9-(phenylsulfonyl)carbazole-3-carboxylate

Systemtic Name: ethyl 2-(6-nitro-1,3-benzodioxol-5-yl)-9-(phenylsulfonyl)carbazole-3-carboxylate Openeye Name: ethyl 9-(benzenesulfonyl)-2-(6-nitro-1,3-benzodioxol-5-yl)carbazole-3-carboxylate CAS Name: 9-(benzenesulfonyl)-2-(6-nitro-1,3-benzodioxol-5-yl)-3-carbazolecarboxylic acid ethyl ester IUPAC Name: ethyl 9-(benzenesulfonyl)-2-(6-nitro-1,3-benzodioxol-5-yl)carbazole-3-carboxylate Traditional Name: 9-besyl-2-(6-nitro-1,3-benzodioxol-5-yl)carbazole-3-carboxylic acid ethyl ester Formula: C28H20N2O8S MolecularWeight: 544.532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2C(=C1)C3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)C5=CC6=C(C=C5[N+](=O)[O-])OCO6

Isomeric SMILES

CCOC(=O)C1=C(C=C2C(=C1)C3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)C5=CC6=C(C=C5[N+](=O)[O-])OCO6

InChI

InChI=1S/C28H20N2O8S/c1-2-36-28(31)22-12-20-18-10-6-7-11-23(18)29(39(34,35)17-8-4-3-5-9-17)24(20)13-19(22)21-14-26-27(38-16-37-26)15-25(21)30(32)33/h3-15H,2,16H2,1H3