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

Systemtic Name: 4-[5-(3-nitrophenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: 4-[5-(3-nitrophenoxy)-1,3-dioxo-isoindolin-2-yl]butanoate CAS Name: 4-[5-(3-nitrophenoxy)-1,3-dioxo-2-isoindolyl]butanoate IUPAC Name: 4-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]butanoate Traditional Name: 4-[1,3-diketo-5-(3-nitrophenoxy)isoindolin-2-yl]butyrate Formula: C18H13N2O7- MolecularWeight: 369.30502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)CCCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)CCCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O7/c21-16(22)5-2-8-19-17(23)14-7-6-13(10-15(14)18(19)24)27-12-4-1-3-11(9-12)20(25)26/h1,3-4,6-7,9-10H,2,5,8H2,(H,21,22)/p-1