1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-[(2-nitrophenyl)amino]butan-1-one

Systemtic Name: 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-[(2-nitrophenyl)amino]butan-1-one Openeye Name: 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-(2-nitroanilino)butan-1-one CAS Name: 1-[2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]-4-(2-nitroanilino)-1-butanone IUPAC Name: 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-(2-nitroanilino)butan-1-one Traditional Name: 1-[2-(2,4-dimethoxyphenyl)pyrrolidino]-4-(2-nitroanilino)butan-1-one Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCCN2C(=O)CCCNC3=CC=CC=C3[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2CCCN2C(=O)CCCNC3=CC=CC=C3[N+](=O)[O-])OC

InChI

InChI=1S/C22H27N3O5/c1-29-16-11-12-17(21(15-16)30-2)19-9-6-14-24(19)22(26)10-5-13-23-18-7-3-4-8-20(18)25(27)28/h3-4,7-8,11-12,15,19,23H,5-6,9-10,13-14H2,1-2H3