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

Systemtic Name: 1-[4-[2-(3,4-dimethoxyphenyl)ethylamino]-3-nitro-phenyl]-3-methyl-pyrrolidine-2,5-dione Openeye Name: 1-[4-[2-(3,4-dimethoxyphenyl)ethylamino]-3-nitro-phenyl]-3-methyl-pyrrolidine-2,5-dione CAS Name: 1-[4-[2-(3,4-dimethoxyphenyl)ethylamino]-3-nitrophenyl]-3-methylpyrrolidine-2,5-dione IUPAC Name: 1-[4-[2-(3,4-dimethoxyphenyl)ethylamino]-3-nitrophenyl]-3-methylpyrrolidine-2,5-dione Traditional Name: 1-[4-(homoveratrylamino)-3-nitro-phenyl]-3-methyl-pyrrolidine-2,5-quinone Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)N(C1=O)C2=CC(=C(C=C2)NCCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CC(=O)N(C1=O)C2=CC(=C(C=C2)NCCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c1-13-10-20(25)23(21(13)26)15-5-6-16(17(12-15)24(27)28)22-9-8-14-4-7-18(29-2)19(11-14)30-3/h4-7,11-13,22H,8-10H2,1-3H3