3-azido-2-methyl-2-[3-nitro-4-(phenethylamino)phenyl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-azido-2-methyl-2-[3-nitro-4-(phenethylamino)phenyl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-azido-2-methyl-2-[3-nitro-4-(phenethylamino)phenyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-azido-2-methyl-2-[3-nitro-4-(phenethylamino)phenyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-azido-2-methyl-2-[3-nitro-4-(phenethylamino)phenyl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-azido-2-methyl-2-[3-nitro-4-(phenethylamino)phenyl]-1-pyrrolidino-propan-1-one Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN=[N+]=[N-])(C1=CC(=C(C=C1)NCCC2=CC=CC=C2)[N+](=O)[O-])C(=O)N3CCCC3

Isomeric SMILES

CC(CN=[N+]=[N-])(C1=CC(=C(C=C1)NCCC2=CC=CC=C2)[N+](=O)[O-])C(=O)N3CCCC3

InChI

InChI=1S/C22H26N6O3/c1-22(16-25-26-23,21(29)27-13-5-6-14-27)18-9-10-19(20(15-18)28(30)31)24-12-11-17-7-3-2-4-8-17/h2-4,7-10,15,24H,5-6,11-14,16H2,1H3