dodecyl 2-(3-nitrophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: dodecyl 2-(3-nitrophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: dodecyl 2-(3-nitrophenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-nitrophenyl)-1,3-dioxo-5-isoindolecarboxylic acid dodecyl ester IUPAC Name: dodecyl 2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(3-nitrophenyl)isoindoline-5-carboxylic acid lauryl ester Formula: C27H32N2O6 MolecularWeight: 480.55278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H32N2O6/c1-2-3-4-5-6-7-8-9-10-11-17-35-27(32)20-15-16-23-24(18-20)26(31)28(25(23)30)21-13-12-14-22(19-21)29(33)34/h12-16,18-19H,2-11,17H2,1H3