2-[[(E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoyl]amino]terephthalic acid

Systemtic Name: 2-[[(E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoyl]amino]terephthalic acid Openeye Name: 2-[[(E)-3-(3-chloro-4-methyl-phenyl)prop-2-enoyl]amino]terephthalic acid CAS Name: 2-[[(E)-3-(3-chloro-4-methylphenyl)-1-oxoprop-2-enyl]amino]terephthalic acid IUPAC Name: 2-[[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]amino]terephthalic acid Traditional Name: 2-[[(E)-3-(3-chloro-4-methyl-phenyl)acryloyl]amino]terephthalic acid Formula: C18H14ClNO5 MolecularWeight: 359.76046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C18H14ClNO5/c1-10-2-3-11(8-14(10)19)4-7-16(21)20-15-9-12(17(22)23)5-6-13(15)18(24)25/h2-9H,1H3,(H,20,21)(H,22,23)(H,24,25)/b7-4+