3-bromanyl-5-[cyclopropyl-(3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-prop-1-enyl)amino]-4-methyl-benzoic acid

Systemtic Name: 3-bromanyl-5-[cyclopropyl-(3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-prop-1-enyl)amino]-4-methyl-benzoic acid Openeye Name: 3-bromo-5-[cyclopropyl-(3-ethoxy-2-ethoxycarbonyl-3-oxo-prop-1-enyl)amino]-4-methyl-benzoic acid CAS Name: 3-bromo-5-[cyclopropyl-(3-ethoxy-2-ethoxycarbonyl-3-oxoprop-1-enyl)amino]-4-methylbenzoic acid IUPAC Name: 3-bromo-5-[cyclopropyl-(3-ethoxy-2-ethoxycarbonyl-3-oxoprop-1-enyl)amino]-4-methylbenzoic acid Traditional Name: 3-bromo-5-[(2-carbethoxy-3-ethoxy-3-keto-prop-1-enyl)-cyclopropyl-amino]-4-methyl-benzoic acid Formula: C19H22BrNO6 MolecularWeight: 440.28508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CN(C1CC1)C2=C(C(=CC(=C2)C(=O)O)Br)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CN(C1CC1)C2=C(C(=CC(=C2)C(=O)O)Br)C)C(=O)OCC

InChI

InChI=1S/C19H22BrNO6/c1-4-26-18(24)14(19(25)27-5-2)10-21(13-6-7-13)16-9-12(17(22)23)8-15(20)11(16)3/h8-10,13H,4-7H2,1-3H3,(H,22,23)