5-methyl-4-[(3-nitrophenyl)methyl]isoindole-1,3-dione

Systemtic Name: 5-methyl-4-[(3-nitrophenyl)methyl]isoindole-1,3-dione Openeye Name: 5-methyl-4-[(3-nitrophenyl)methyl]isoindoline-1,3-dione CAS Name: 5-methyl-4-[(3-nitrophenyl)methyl]isoindole-1,3-dione IUPAC Name: 5-methyl-4-[(3-nitrophenyl)methyl]isoindole-1,3-dione Traditional Name: 5-methyl-4-(3-nitrobenzyl)isoindoline-1,3-quinone Formula: C16H12N2O4 MolecularWeight: 296.27748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)NC2=O)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)NC2=O)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O4/c1-9-5-6-12-14(16(20)17-15(12)19)13(9)8-10-3-2-4-11(7-10)18(21)22/h2-7H,8H2,1H3,(H,17,19,20)