5-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]indole-1-carboxylic acid

Systemtic Name: 5-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]indole-1-carboxylic acid Openeye Name: 5-[(E)-3-methoxy-3-oxo-prop-1-enyl]indole-1-carboxylic acid CAS Name: 5-[(E)-3-methoxy-3-oxoprop-1-enyl]-1-indolecarboxylic acid IUPAC Name: 5-[(E)-3-methoxy-3-oxoprop-1-enyl]indole-1-carboxylic acid Traditional Name: 5-[(E)-3-keto-3-methoxy-prop-1-enyl]indole-1-carboxylic acid Formula: C13H11NO4 MolecularWeight: 245.23074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CC2=C(C=C1)N(C=C2)C(=O)O

Isomeric SMILES

COC(=O)/C=C/C1=CC2=C(C=C1)N(C=C2)C(=O)O

InChI

InChI=1S/C13H11NO4/c1-18-12(15)5-3-9-2-4-11-10(8-9)6-7-14(11)13(16)17/h2-8H,1H3,(H,16,17)/b5-3+