2-[[(E)-2-chloranyl-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-2-chloranyl-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-chloro-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-chloro-3-(7-methoxy-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-chloro-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-2-chloro-3-(7-methoxy-1,3-benzodioxol-5-yl)acryloyl]amino]benzoic acid Formula: C18H14ClNO6 MolecularWeight: 375.75986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C=C(C(=O)NC3=CC=CC=C3C(=O)O)Cl

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)/C=C(\C(=O)NC3=CC=CC=C3C(=O)O)/Cl

InChI

InChI=1S/C18H14ClNO6/c1-24-14-7-10(8-15-16(14)26-9-25-15)6-12(19)17(21)20-13-5-3-2-4-11(13)18(22)23/h2-8H,9H2,1H3,(H,20,21)(H,22,23)/b12-6+