methyl 4-(2-methylpropyl)-1,3-bis(oxidanylidene)benzo[e]isoindole-8-carboxylate

Systemtic Name: methyl 4-(2-methylpropyl)-1,3-bis(oxidanylidene)benzo[e]isoindole-8-carboxylate Openeye Name: methyl 4-isobutyl-1,3-dioxo-benzo[e]isoindole-8-carboxylate CAS Name: 4-(2-methylpropyl)-1,3-dioxo-8-benzo[e]isoindolecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-methylpropyl)-1,3-dioxobenzo[e]isoindole-8-carboxylate Traditional Name: 4-isobutyl-1,3-diketo-benz[e]isoindole-8-carboxylic acid methyl ester Formula: C18H17NO4 MolecularWeight: 311.33188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C2C(=C3C=C(C=CC3=C1)C(=O)OC)C(=O)NC2=O

Isomeric SMILES

CC(C)CC1=C2C(=C3C=C(C=CC3=C1)C(=O)OC)C(=O)NC2=O

InChI

InChI=1S/C18H17NO4/c1-9(2)6-12-7-10-4-5-11(18(22)23-3)8-13(10)15-14(12)16(20)19-17(15)21/h4-5,7-9H,6H2,1-3H3,(H,19,20,21)