(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-methylindole-3-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-methylindole-3-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-methylindole-3-carboxylate CAS Name: 1-methyl-3-indolecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-methylindole-3-carboxylate Traditional Name: 1-methylindole-3-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H16N2O6 MolecularWeight: 368.34014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C19H16N2O6/c1-20-8-16(15-4-2-3-5-17(15)20)19(22)26-10-13-7-14(21(23)24)6-12-9-25-11-27-18(12)13/h2-8H,9-11H2,1H3