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

Systemtic Name: 1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-4-[(4-nitrophenyl)amino]butan-1-one Openeye Name: 1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-4-(4-nitroanilino)butan-1-one CAS Name: 1-[2-(4-ethoxyphenyl)-1-pyrrolidinyl]-4-(4-nitroanilino)-1-butanone IUPAC Name: 1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-4-(4-nitroanilino)butan-1-one Traditional Name: 4-(4-nitroanilino)-1-(2-p-phenetylpyrrolidino)butan-1-one Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCCN2C(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2CCCN2C(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O4/c1-2-29-20-13-7-17(8-14-20)21-5-4-16-24(21)22(26)6-3-15-23-18-9-11-19(12-10-18)25(27)28/h7-14,21,23H,2-6,15-16H2,1H3