(3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)sulfonyl-4,6-dinitro-2H-indole

Systemtic Name: (3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)sulfonyl-4,6-dinitro-2H-indole Openeye Name: (3Z)-3-(1,3-benzodioxol-5-ylmethylene)-4,6-dinitro-1-(p-tolylsulfonyl)indoline CAS Name: (3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)sulfonyl-4,6-dinitro-2H-indole IUPAC Name: (3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)sulfonyl-4,6-dinitro-2H-indole Traditional Name: (3Z)-4,6-dinitro-3-piperonylidene-1-tosyl-indoline Formula: C23H17N3O8S MolecularWeight: 495.46138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=CC3=CC4=C(C=C3)OCO4)C5=C(C=C(C=C52)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C/C(=C\C3=CC4=C(C=C3)OCO4)/C5=C(C=C(C=C52)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H17N3O8S/c1-14-2-5-18(6-3-14)35(31,32)24-12-16(8-15-4-7-21-22(9-15)34-13-33-21)23-19(24)10-17(25(27)28)11-20(23)26(29)30/h2-11H,12-13H2,1H3/b16-8+