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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C21)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C21)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

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