4-[5-(3-nitrophenyl)carbonyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: 4-[5-(3-nitrophenyl)carbonyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: 4-[5-(3-nitrobenzoyl)-1,3-dioxo-isoindolin-2-yl]butanoate CAS Name: 4-[5-[(3-nitrophenyl)-oxomethyl]-1,3-dioxo-2-isoindolyl]butanoate IUPAC Name: 4-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]butanoate Traditional Name: 4-[1,3-diketo-5-(3-nitrobenzoyl)isoindolin-2-yl]butyrate Formula: C19H13N2O7- MolecularWeight: 381.31572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCCC(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCCC(=O)[O-]

InChI

InChI=1S/C19H14N2O7/c22-16(23)5-2-8-20-18(25)14-7-6-12(10-15(14)19(20)26)17(24)11-3-1-4-13(9-11)21(27)28/h1,3-4,6-7,9-10H,2,5,8H2,(H,22,23)/p-1