(2-methoxy-5-nitro-phenyl) 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (2-methoxy-5-nitro-phenyl) 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (2-methoxy-5-nitro-phenyl) 2-butyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-butyl-1,3-dioxo-5-isoindolecarboxylic acid (2-methoxy-5-nitrophenyl) ester IUPAC Name: (2-methoxy-5-nitrophenyl) 2-butyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-butyl-1,3-diketo-isoindoline-5-carboxylic acid (2-methoxy-5-nitro-phenyl) ester Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H18N2O7/c1-3-4-9-21-18(23)14-7-5-12(10-15(14)19(21)24)20(25)29-17-11-13(22(26)27)6-8-16(17)28-2/h5-8,10-11H,3-4,9H2,1-2H3