2-methyl-2-[4-[methyl-(phenylmethyl)amino]-3-nitro-phenyl]-3-oxidanyl-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 2-methyl-2-[4-[methyl-(phenylmethyl)amino]-3-nitro-phenyl]-3-oxidanyl-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 2-[4-[benzyl(methyl)amino]-3-nitro-phenyl]-3-hydroxy-2-methyl-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-hydroxy-2-methyl-2-[4-[methyl-(phenylmethyl)amino]-3-nitrophenyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 2-[4-[benzyl(methyl)amino]-3-nitrophenyl]-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 2-[4-[benzyl(methyl)amino]-3-nitro-phenyl]-3-hydroxy-2-methyl-1-pyrrolidino-propan-1-one Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(C1=CC(=C(C=C1)N(C)CC2=CC=CC=C2)[N+](=O)[O-])C(=O)N3CCCC3

Isomeric SMILES

CC(CO)(C1=CC(=C(C=C1)N(C)CC2=CC=CC=C2)[N+](=O)[O-])C(=O)N3CCCC3

InChI

InChI=1S/C22H27N3O4/c1-22(16-26,21(27)24-12-6-7-13-24)18-10-11-19(20(14-18)25(28)29)23(2)15-17-8-4-3-5-9-17/h3-5,8-11,14,26H,6-7,12-13,15-16H2,1-2H3