2-(2-methyl-5-nitro-phenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione

Systemtic Name: 2-(2-methyl-5-nitro-phenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione Openeye Name: 2-(2-methyl-5-nitro-phenyl)-5-(4-nitrophenoxy)isoindoline-1,3-dione CAS Name: 2-(2-methyl-5-nitrophenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione IUPAC Name: 2-(2-methyl-5-nitrophenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione Traditional Name: 2-(2-methyl-5-nitro-phenyl)-5-(4-nitrophenoxy)isoindoline-1,3-quinone Formula: C21H13N3O7 MolecularWeight: 419.34382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H13N3O7/c1-12-2-3-14(24(29)30)10-19(12)22-20(25)17-9-8-16(11-18(17)21(22)26)31-15-6-4-13(5-7-15)23(27)28/h2-11H,1H3