2-oxidanylidenepropyl 2-(4-methyl-2-nitro-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 2-oxidanylidenepropyl 2-(4-methyl-2-nitro-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: acetonyl 2-(4-methyl-2-nitro-phenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-methyl-2-nitrophenyl)-1,3-dioxo-5-isoindolecarboxylic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 2-(4-methyl-2-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(4-methyl-2-nitro-phenyl)isoindoline-5-carboxylic acid acetonyl ester Formula: C19H14N2O7 MolecularWeight: 382.32366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H14N2O7/c1-10-3-6-15(16(7-10)21(26)27)20-17(23)13-5-4-12(8-14(13)18(20)24)19(25)28-9-11(2)22/h3-8H,9H2,1-2H3