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

Systemtic Name: diethyl 2-(2-nitro-3-oxidanylidene-phenalen-1-yl)propanedioate Openeye Name: diethyl 2-(2-nitro-3-oxo-phenalen-1-yl)propanedioate CAS Name: 2-(2-nitro-3-oxo-1-phenalenyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(2-nitro-3-oxophenalen-1-yl)propanedioate Traditional Name: 2-(3-keto-2-nitro-phenalen-1-yl)malonic acid diethyl ester Formula: C20H17NO7 MolecularWeight: 383.35148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17NO7/c1-3-27-19(23)16(20(24)28-4-2)15-12-9-5-7-11-8-6-10-13(14(11)12)18(22)17(15)21(25)26/h5-10,16H,3-4H2,1-2H3