3-chloranylbenzoic acid; 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]ethanoic acid

Systemtic Name: 3-chloranylbenzoic acid; 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]ethanoic acid Openeye Name: 3-chlorobenzoic acid; 2-[[(E)-3-(2-furyl)prop-2-enoyl]amino]acetic acid CAS Name: 3-chlorobenzoic acid; 2-[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]acetic acid IUPAC Name: 3-chlorobenzoic acid; 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]acetic acid Traditional Name: 3-chlorobenzoic acid; 2-[[(E)-3-(2-furyl)acryloyl]amino]acetic acid Formula: C16H14ClNO6 MolecularWeight: 351.73846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C(=O)O.C1=COC(=C1)C=CC(=O)NCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C(=O)O.C1=COC(=C1)/C=C/C(=O)NCC(=O)O

InChI

InChI=1S/C9H9NO4.C7H5ClO2/c11-8(10-6-9(12)13)4-3-7-2-1-5-14-7;8-6-3-1-2-5(4-6)7(9)10/h1-5H,6H2,(H,10,11)(H,12,13);1-4H,(H,9,10)/b4-3+;