3-[(4aR,8aR)-3-oxidanylidene-4a,5,6,7,8,8a-hexahydro-4H-quinoxalin-2-yl]propanoate

Systemtic Name: 3-[(4aR,8aR)-3-oxidanylidene-4a,5,6,7,8,8a-hexahydro-4H-quinoxalin-2-yl]propanoate Openeye Name: 3-[(4aR,8aR)-3-oxo-4a,5,6,7,8,8a-hexahydro-4H-quinoxalin-2-yl]propanoate CAS Name: 3-[(4aR,8aR)-3-oxo-4a,5,6,7,8,8a-hexahydro-4H-quinoxalin-2-yl]propanoate IUPAC Name: 3-[(4aR,8aR)-3-oxo-4a,5,6,7,8,8a-hexahydro-4H-quinoxalin-2-yl]propanoate Traditional Name: 3-[(4aR,8aR)-3-keto-4a,5,6,7,8,8a-hexahydro-4H-quinoxalin-2-yl]propionate Formula: C11H15N2O3- MolecularWeight: 223.2484

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)NC(=O)C(=N2)CCC(=O)[O-]

Isomeric SMILES

C1CC[C@@H]2[C@@H](C1)NC(=O)C(=N2)CCC(=O)[O-]

InChI

InChI=1S/C11H16N2O3/c14-10(15)6-5-9-11(16)13-8-4-2-1-3-7(8)12-9/h7-8H,1-6H2,(H,13,16)(H,14,15)/p-1/t7-,8-/m1/s1