dimethyl 2-(2-nitro-3-oxidanylidene-phenalen-1-yl)propanedioate

Systemtic Name: dimethyl 2-(2-nitro-3-oxidanylidene-phenalen-1-yl)propanedioate Openeye Name: dimethyl 2-(2-nitro-3-oxo-phenalen-1-yl)propanedioate CAS Name: 2-(2-nitro-3-oxo-1-phenalenyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(2-nitro-3-oxophenalen-1-yl)propanedioate Traditional Name: 2-(3-keto-2-nitro-phenalen-1-yl)malonic acid dimethyl ester Formula: C18H13NO7 MolecularWeight: 355.29832

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=C(C(=O)C2=CC=CC3=C2C1=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C(C1=C(C(=O)C2=CC=CC3=C2C1=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H13NO7/c1-25-17(21)14(18(22)26-2)13-10-7-3-5-9-6-4-8-11(12(9)10)16(20)15(13)19(23)24/h3-8,14H,1-2H3