ethyl 7-(4-iodophenyl)carbonyl-3-phenyl-4aH-pyrrolo[1,2-c]pyrimidin-8-ium-5-carboxylate

Systemtic Name: ethyl 7-(4-iodophenyl)carbonyl-3-phenyl-4aH-pyrrolo[1,2-c]pyrimidin-8-ium-5-carboxylate Openeye Name: ethyl 7-(4-iodobenzoyl)-3-phenyl-4aH-pyrrolo[1,2-c]pyrimidin-8-ium-5-carboxylate CAS Name: 7-[(4-iodophenyl)-oxomethyl]-3-phenyl-4aH-pyrrolo[1,2-c]pyrimidin-8-ium-5-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(4-iodobenzoyl)-3-phenyl-4aH-pyrrolo[1,2-c]pyrimidin-8-ium-5-carboxylate Traditional Name: 7-(4-iodobenzoyl)-3-phenyl-4aH-pyrrolo[1,2-c]pyrimidin-8-ium-5-carboxylic acid ethyl ester Formula: C23H18IN2O3+ MolecularWeight: 497.30509

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=[N+]2C1C=C(N=C2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)I

Isomeric SMILES

CCOC(=O)C1=CC(=[N+]2C1C=C(N=C2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)I

InChI

InChI=1S/C23H18IN2O3/c1-2-29-23(28)18-12-21(22(27)16-8-10-17(24)11-9-16)26-14-25-19(13-20(18)26)15-6-4-3-5-7-15/h3-14,20H,2H2,1H3/q+1