methyl 2-methyl-6-nitro-1,3-bis(oxidanylidene)-4H-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-methyl-6-nitro-1,3-bis(oxidanylidene)-4H-isoquinoline-4-carboxylate Openeye Name: methyl 2-methyl-6-nitro-1,3-dioxo-4H-isoquinoline-4-carboxylate CAS Name: 2-methyl-6-nitro-1,3-dioxo-4H-isoquinoline-4-carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-6-nitro-1,3-dioxo-4H-isoquinoline-4-carboxylate Traditional Name: 1,3-diketo-2-methyl-6-nitro-4H-isoquinoline-4-carboxylic acid methyl ester Formula: C12H10N2O6 MolecularWeight: 278.2176

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(C2=C(C1=O)C=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN1C(=O)C(C2=C(C1=O)C=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C12H10N2O6/c1-13-10(15)7-4-3-6(14(18)19)5-8(7)9(11(13)16)12(17)20-2/h3-5,9H,1-2H3