3-[4-bromanyl-1-methyl-2,5-bis(oxidanylidene)pyrrol-3-yl]-5-phenylmethoxy-indole-1-carboxylate

Systemtic Name: 3-[4-bromanyl-1-methyl-2,5-bis(oxidanylidene)pyrrol-3-yl]-5-phenylmethoxy-indole-1-carboxylate Openeye Name: 5-benzyloxy-3-(4-bromo-1-methyl-2,5-dioxo-pyrrol-3-yl)indole-1-carboxylate CAS Name: 3-(4-bromo-1-methyl-2,5-dioxo-3-pyrrolyl)-5-phenylmethoxy-1-indolecarboxylate IUPAC Name: 3-(4-bromo-1-methyl-2,5-dioxopyrrol-3-yl)-5-phenylmethoxyindole-1-carboxylate Traditional Name: 5-benzoxy-3-(4-bromo-2,5-diketo-1-methyl-3-pyrrolin-3-yl)indole-1-carboxylate Formula: C21H14BrN2O5- MolecularWeight: 454.25026

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(C1=O)Br)C2=CN(C3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CN1C(=O)C(=C(C1=O)Br)C2=CN(C3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C21H15BrN2O5/c1-23-19(25)17(18(22)20(23)26)15-10-24(21(27)28)16-8-7-13(9-14(15)16)29-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,27,28)/p-1