4-[(4aS,8aR)-4-oxidanylidene-4a,5,6,7,8,8a-hexahydro-3H-phthalazin-1-yl]benzoate

Systemtic Name: 4-[(4aS,8aR)-4-oxidanylidene-4a,5,6,7,8,8a-hexahydro-3H-phthalazin-1-yl]benzoate Openeye Name: 4-[(4aS,8aR)-4-oxo-4a,5,6,7,8,8a-hexahydro-3H-phthalazin-1-yl]benzoate CAS Name: 4-[(4aS,8aR)-4-oxo-4a,5,6,7,8,8a-hexahydro-3H-phthalazin-1-yl]benzoate IUPAC Name: 4-[(4aS,8aR)-4-oxo-4a,5,6,7,8,8a-hexahydro-3H-phthalazin-1-yl]benzoate Traditional Name: 4-[(4aS,8aR)-4-keto-4a,5,6,7,8,8a-hexahydro-3H-phthalazin-1-yl]benzoate Formula: C15H15N2O3- MolecularWeight: 271.2912

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=NNC2=O)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CC[C@H]2[C@@H](C1)C(=NNC2=O)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C15H16N2O3/c18-14-12-4-2-1-3-11(12)13(16-17-14)9-5-7-10(8-6-9)15(19)20/h5-8,11-12H,1-4H2,(H,17,18)(H,19,20)/p-1/t11-,12+/m1/s1