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

Systemtic Name: 3-[5-(3-nitrophenyl)carbonyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: 3-[5-(3-nitrobenzoyl)-1,3-dioxo-isoindolin-2-yl]propanoate CAS Name: 3-[5-[(3-nitrophenyl)-oxomethyl]-1,3-dioxo-2-isoindolyl]propanoate IUPAC Name: 3-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]propanoate Traditional Name: 3-[1,3-diketo-5-(3-nitrobenzoyl)isoindolin-2-yl]propionate Formula: C18H11N2O7- MolecularWeight: 367.28914

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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)CCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H12N2O7/c21-15(22)6-7-19-17(24)13-5-4-11(9-14(13)18(19)25)16(23)10-2-1-3-12(8-10)20(26)27/h1-5,8-9H,6-7H2,(H,21,22)/p-1