6-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[(3-oxo-4H-1,4-benzoxazin-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[oxo-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[(3-oxo-4H-1,4-benzoxazin-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(3-keto-4H-1,4-benzoxazin-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C16H16N2O5 MolecularWeight: 316.30864

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=CC3=C(C=C2)OCC(=O)N3)C(=O)O

Isomeric SMILES

C1C=CCC(C1C(=O)NC2=CC3=C(C=C2)OCC(=O)N3)C(=O)O

InChI

InChI=1S/C16H16N2O5/c19-14-8-23-13-6-5-9(7-12(13)18-14)17-15(20)10-3-1-2-4-11(10)16(21)22/h1-2,5-7,10-11H,3-4,8H2,(H,17,20)(H,18,19)(H,21,22)