methyl (4aS,8aS)-2,6,7-trimethyl-4-nitro-1-oxidanylidene-8,8a-dihydro-5H-isoquinoline-4a-carboxylate

Systemtic Name: methyl (4aS,8aS)-2,6,7-trimethyl-4-nitro-1-oxidanylidene-8,8a-dihydro-5H-isoquinoline-4a-carboxylate Openeye Name: methyl (4aS,8aS)-2,6,7-trimethyl-4-nitro-1-oxo-8,8a-dihydro-5H-isoquinoline-4a-carboxylate CAS Name: (4aS,8aS)-2,6,7-trimethyl-4-nitro-1-oxo-8,8a-dihydro-5H-isoquinoline-4a-carboxylic acid methyl ester IUPAC Name: methyl (4aS,8aS)-2,6,7-trimethyl-4-nitro-1-oxo-8,8a-dihydro-5H-isoquinoline-4a-carboxylate Traditional Name: (4aS,8aS)-1-keto-2,6,7-trimethyl-4-nitro-8,8a-dihydro-5H-isoquinoline-4a-carboxylic acid methyl ester Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC2(C(C1)C(=O)N(C=C2[N+](=O)[O-])C)C(=O)OC)C

Isomeric SMILES

CC1=C(C[C@@]2([C@H](C1)C(=O)N(C=C2[N+](=O)[O-])C)C(=O)OC)C

InChI

InChI=1S/C14H18N2O5/c1-8-5-10-12(17)15(3)7-11(16(19)20)14(10,6-9(8)2)13(18)21-4/h7,10H,5-6H2,1-4H3/t10-,14+/m1/s1