3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-1H-indole-2-carboxylic acid

Systemtic Name: 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-1H-indole-2-carboxylic acid Openeye Name: 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-1H-indole-2-carboxylic acid CAS Name: 3-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-1H-indole-2-carboxylic acid IUPAC Name: 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-1H-indole-2-carboxylic acid Traditional Name: 3-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]-1H-indole-2-carboxylic acid Formula: C19H14N2O5 MolecularWeight: 350.32486

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)NC3=C(NC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NC3=C(NC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C19H14N2O5/c22-16(8-6-11-5-7-14-15(9-11)26-10-25-14)21-17-12-3-1-2-4-13(12)20-18(17)19(23)24/h1-9,20H,10H2,(H,21,22)(H,23,24)/b8-6+