1-[4-[(3,5-dimethoxyphenyl)methylamino]-3-nitro-phenyl]-3-methyl-pyrrolidine-2,5-dione

Systemtic Name: 1-[4-[(3,5-dimethoxyphenyl)methylamino]-3-nitro-phenyl]-3-methyl-pyrrolidine-2,5-dione Openeye Name: 1-[4-[(3,5-dimethoxyphenyl)methylamino]-3-nitro-phenyl]-3-methyl-pyrrolidine-2,5-dione CAS Name: 1-[4-[(3,5-dimethoxyphenyl)methylamino]-3-nitrophenyl]-3-methylpyrrolidine-2,5-dione IUPAC Name: 1-[4-[(3,5-dimethoxyphenyl)methylamino]-3-nitrophenyl]-3-methylpyrrolidine-2,5-dione Traditional Name: 1-[4-[(3,5-dimethoxybenzyl)amino]-3-nitro-phenyl]-3-methyl-pyrrolidine-2,5-quinone Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)N(C1=O)C2=CC(=C(C=C2)NCC3=CC(=CC(=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CC(=O)N(C1=O)C2=CC(=C(C=C2)NCC3=CC(=CC(=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c1-12-6-19(24)22(20(12)25)14-4-5-17(18(9-14)23(26)27)21-11-13-7-15(28-2)10-16(8-13)29-3/h4-5,7-10,12,21H,6,11H2,1-3H3