2-[[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[(4-ethoxy-3-methoxy-benzyl)-methyl-amino]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN(C)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN(C)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H21N3O6/c1-4-29-16-9-8-13(10-17(16)28-3)11-21(2)12-22-19(24)14-6-5-7-15(23(26)27)18(14)20(22)25/h5-10H,4,11-12H2,1-3H3