2-[[(Z)-(3-chloranyl-4-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]propanedioic acid

Systemtic Name: 2-[[(Z)-(3-chloranyl-4-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]propanedioic acid Openeye Name: 2-[[(Z)-(3-chloro-4-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]propanedioic acid CAS Name: 2-[[(Z)-(3-chloro-4-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-phenylmethyl]amino]propanedioic acid IUPAC Name: 2-[[(Z)-(3-chloro-4-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-phenylmethyl]amino]propanedioic acid Traditional Name: 2-[[(Z)-(3-chloro-6-keto-4-methyl-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]malonic acid Formula: C17H14ClNO5 MolecularWeight: 347.74976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(C2=CC=CC=C2)NC(C(=O)O)C(=O)O)C=C1Cl

Isomeric SMILES

CC1=CC(=O)/C(=C(/C2=CC=CC=C2)\NC(C(=O)O)C(=O)O)/C=C1Cl

InChI

InChI=1S/C17H14ClNO5/c1-9-7-13(20)11(8-12(9)18)14(10-5-3-2-4-6-10)19-15(16(21)22)17(23)24/h2-8,15,19H,1H3,(H,21,22)(H,23,24)/b14-11-