methyl 4-[(3-bromophenyl)methylidene]-1-(3-methoxypropyl)-2-methyl-5-oxidanylidene-pyrrole-3-carboxylate

Systemtic Name: methyl 4-[(3-bromophenyl)methylidene]-1-(3-methoxypropyl)-2-methyl-5-oxidanylidene-pyrrole-3-carboxylate Openeye Name: methyl 4-[(3-bromophenyl)methylene]-1-(3-methoxypropyl)-2-methyl-5-oxo-pyrrole-3-carboxylate CAS Name: 4-[(3-bromophenyl)methylidene]-1-(3-methoxypropyl)-2-methyl-5-oxo-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[(3-bromophenyl)methylidene]-1-(3-methoxypropyl)-2-methyl-5-oxopyrrole-3-carboxylate Traditional Name: 4-(3-bromobenzylidene)-5-keto-1-(3-methoxypropyl)-2-methyl-2-pyrroline-3-carboxylic acid methyl ester Formula: C18H20BrNO4 MolecularWeight: 394.2597

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC(=CC=C2)Br)C(=O)N1CCCOC)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC2=CC(=CC=C2)Br)C(=O)N1CCCOC)C(=O)OC

InChI

InChI=1S/C18H20BrNO4/c1-12-16(18(22)24-3)15(11-13-6-4-7-14(19)10-13)17(21)20(12)8-5-9-23-2/h4,6-7,10-11H,5,8-9H2,1-3H3