methyl 6-iodanyl-2-(4-methylphenyl)carbonyl-6-nitro-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: methyl 6-iodanyl-2-(4-methylphenyl)carbonyl-6-nitro-cyclohexa-2,4-diene-1-carboxylate Openeye Name: methyl 6-iodo-2-(4-methylbenzoyl)-6-nitro-cyclohexa-2,4-diene-1-carboxylate CAS Name: 6-iodo-2-[(4-methylphenyl)-oxomethyl]-6-nitro-1-cyclohexa-2,4-dienecarboxylic acid methyl ester IUPAC Name: methyl 6-iodo-2-(4-methylbenzoyl)-6-nitrocyclohexa-2,4-diene-1-carboxylate Traditional Name: 6-iodo-6-nitro-2-p-toluoyl-cyclohexa-2,4-diene-1-carboxylic acid methyl ester Formula: C16H14INO5 MolecularWeight: 427.19053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC(C2C(=O)OC)([N+](=O)[O-])I

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC(C2C(=O)OC)([N+](=O)[O-])I

InChI

InChI=1S/C16H14INO5/c1-10-5-7-11(8-6-10)14(19)12-4-3-9-16(17,18(21)22)13(12)15(20)23-2/h3-9,13H,1-2H3