4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid 4-phthalimidobutyl ester Formula: C27H18N2O8 MolecularWeight: 498.44042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)OCCCCN4C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)OCCCCN4C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]

InChI

InChI=1S/C27H18N2O8/c30-23-15-7-1-2-8-16(15)24(31)21-19(23)11-12-20(22(21)29(35)36)27(34)37-14-6-5-13-28-25(32)17-9-3-4-10-18(17)26(28)33/h1-4,7-12H,5-6,13-14H2