2-chloranyl-3-[methyl-(3-oxidanylidene-3-propoxy-2-propoxycarbonyl-prop-1-enyl)amino]benzoic acid

Systemtic Name: 2-chloranyl-3-[methyl-(3-oxidanylidene-3-propoxy-2-propoxycarbonyl-prop-1-enyl)amino]benzoic acid Openeye Name: 2-chloro-3-[methyl-(3-oxo-3-propoxy-2-propoxycarbonyl-prop-1-enyl)amino]benzoic acid CAS Name: 2-chloro-3-[methyl-[3-oxo-2-[oxo(propoxy)methyl]-3-propoxyprop-1-enyl]amino]benzoic acid IUPAC Name: 2-chloro-3-[methyl-(3-oxo-3-propoxy-2-propoxycarbonylprop-1-enyl)amino]benzoic acid Traditional Name: 2-chloro-3-[(3-keto-3-propoxy-2-propoxycarbonyl-prop-1-enyl)-methyl-amino]benzoic acid Formula: C18H22ClNO6 MolecularWeight: 383.82338

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(=CN(C)C1=CC=CC(=C1Cl)C(=O)O)C(=O)OCCC

Isomeric SMILES

CCCOC(=O)C(=CN(C)C1=CC=CC(=C1Cl)C(=O)O)C(=O)OCCC

InChI

InChI=1S/C18H22ClNO6/c1-4-9-25-17(23)13(18(24)26-10-5-2)11-20(3)14-8-6-7-12(15(14)19)16(21)22/h6-8,11H,4-5,9-10H2,1-3H3,(H,21,22)