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

Systemtic Name: 3-[5-(3-nitrophenyl)carbonyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl ethanoate Openeye Name: 3-[5-(3-nitrobenzoyl)-1,3-dioxo-isoindolin-2-yl]propyl acetate CAS Name: acetic acid 3-[5-[(3-nitrophenyl)-oxomethyl]-1,3-dioxo-2-isoindolyl]propyl ester IUPAC Name: 3-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]propyl acetate Traditional Name: acetic acid 3-[1,3-diketo-5-(3-nitrobenzoyl)isoindolin-2-yl]propyl ester Formula: C20H16N2O7 MolecularWeight: 396.35024

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O7/c1-12(23)29-9-3-8-21-19(25)16-7-6-14(11-17(16)20(21)26)18(24)13-4-2-5-15(10-13)22(27)28/h2,4-7,10-11H,3,8-9H2,1H3