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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/c1-9-7-13(12(18)21-4)5-6-15(3)11(17)14(13,16(19)20)8-10(9)2/h5-6H,7-8H2,1-4H3/t13-,14+/m0/s1