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

Systemtic Name: 2-(3-methoxy-4-methyl-phenyl)-4-nitro-isoindole-1,3-dione Openeye Name: 2-(3-methoxy-4-methyl-phenyl)-4-nitro-isoindoline-1,3-dione CAS Name: 2-(3-methoxy-4-methylphenyl)-4-nitroisoindole-1,3-dione IUPAC Name: 2-(3-methoxy-4-methylphenyl)-4-nitroisoindole-1,3-dione Traditional Name: 2-(3-methoxy-4-methyl-phenyl)-4-nitro-isoindoline-1,3-quinone Formula: C16H12N2O5 MolecularWeight: 312.27688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O5/c1-9-6-7-10(8-13(9)23-2)17-15(19)11-4-3-5-12(18(21)22)14(11)16(17)20/h3-8H,1-2H3