2-[3-(7-oxidanylidene-2H-benzo[g][1,2]benzoxazol-3-yl)propanoylamino]cyclohexene-1-carboxylic acid

Systemtic Name: 2-[3-(7-oxidanylidene-2H-benzo[g][1,2]benzoxazol-3-yl)propanoylamino]cyclohexene-1-carboxylic acid Openeye Name: 2-[3-(7-oxo-2H-benzo[g][1,2]benzoxazol-3-yl)propanoylamino]cyclohexene-1-carboxylic acid CAS Name: 2-[[1-oxo-3-(7-oxo-2H-benzo[g][1,2]benzoxazol-3-yl)propyl]amino]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[3-(7-oxo-2H-benzo[g][1,2]benzoxazol-3-yl)propanoylamino]cyclohexene-1-carboxylic acid Traditional Name: 2-[3-(7-keto-2H-benz[g]indoxazen-3-yl)propanoylamino]cyclohexene-1-carboxylic acid Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C1)C(=O)O)NC(=O)CCC2=C3C=CC4=CC(=O)C=CC4=C3ON2

Isomeric SMILES

C1CCC(=C(C1)C(=O)O)NC(=O)CCC2=C3C=CC4=CC(=O)C=CC4=C3ON2

InChI

InChI=1S/C21H20N2O5/c24-13-6-8-14-12(11-13)5-7-15-18(23-28-20(14)15)9-10-19(25)22-17-4-2-1-3-16(17)21(26)27/h5-8,11,23H,1-4,9-10H2,(H,22,25)(H,26,27)