(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-chloranyl-1H-indole-2-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-chloranyl-1H-indole-2-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-chloro-1H-indole-2-carboxylate CAS Name: 3-chloro-1H-indole-2-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-chloro-1H-indole-2-carboxylate Traditional Name: 3-chloro-1H-indole-2-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H13ClN2O6 MolecularWeight: 388.75862

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=C(C4=CC=CC=C4N3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=C(C4=CC=CC=C4N3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H13ClN2O6/c19-15-13-3-1-2-4-14(13)20-16(15)18(22)26-8-11-6-12(21(23)24)5-10-7-25-9-27-17(10)11/h1-6,20H,7-9H2