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

Systemtic Name: (3Z)-1-(4-methylphenyl)sulfonyl-4,6-dinitro-3-(pyridin-3-ylmethylidene)-2H-indole Openeye Name: (3Z)-4,6-dinitro-1-(p-tolylsulfonyl)-3-(3-pyridylmethylene)indoline CAS Name: (3Z)-1-(4-methylphenyl)sulfonyl-4,6-dinitro-3-(3-pyridinylmethylidene)-2H-indole IUPAC Name: (3Z)-1-(4-methylphenyl)sulfonyl-4,6-dinitro-3-(pyridin-3-ylmethylidene)-2H-indole Traditional Name: (3Z)-4,6-dinitro-3-(3-pyridylmethylene)-1-tosyl-indoline Formula: C21H16N4O6S MolecularWeight: 452.43994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=CC3=CN=CC=C3)C4=C(C=C(C=C42)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C/C(=C\C3=CN=CC=C3)/C4=C(C=C(C=C42)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O6S/c1-14-4-6-18(7-5-14)32(30,31)23-13-16(9-15-3-2-8-22-12-15)21-19(23)10-17(24(26)27)11-20(21)25(28)29/h2-12H,13H2,1H3/b16-9+