4-[[(1E)-1-(6-ethoxycarbonyl-2-oxidanylidene-1H-indol-3-ylidene)propyl]amino]benzoic acid

Systemtic Name: 4-[[(1E)-1-(6-ethoxycarbonyl-2-oxidanylidene-1H-indol-3-ylidene)propyl]amino]benzoic acid Openeye Name: 4-[[(1E)-1-(6-ethoxycarbonyl-2-oxo-indolin-3-ylidene)propyl]amino]benzoic acid CAS Name: 4-[[(1E)-1-(6-ethoxycarbonyl-2-oxo-1H-indol-3-ylidene)propyl]amino]benzoic acid IUPAC Name: 4-[[(1E)-1-(6-ethoxycarbonyl-2-oxo-1H-indol-3-ylidene)propyl]amino]benzoic acid Traditional Name: 4-[[(1E)-1-(6-carbethoxy-2-keto-indolin-3-ylidene)propyl]amino]benzoic acid Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C2=C(C=C(C=C2)C(=O)OCC)NC1=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC/C(=C\1/C2=C(C=C(C=C2)C(=O)OCC)NC1=O)/NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H20N2O5/c1-3-16(22-14-8-5-12(6-9-14)20(25)26)18-15-10-7-13(21(27)28-4-2)11-17(15)23-19(18)24/h5-11,22H,3-4H2,1-2H3,(H,23,24)(H,25,26)/b18-16+