(1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: (1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: (1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl) 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid [1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid (2-keto-1-methyl-2-pyrrolidino-ethyl) ester Formula: C22H18N2O7 MolecularWeight: 422.38752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)OC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCCC1)OC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O7/c1-12(21(27)23-10-4-5-11-23)31-22(28)16-9-8-15-17(18(16)24(29)30)20(26)14-7-3-2-6-13(14)19(15)25/h2-3,6-9,12H,4-5,10-11H2,1H3