1-[tert-butyl(methyl)amino]-3-(5-nitro-2-pyrrolidin-1-yl-phenoxy)propan-2-ol

Systemtic Name: 1-[tert-butyl(methyl)amino]-3-(5-nitro-2-pyrrolidin-1-yl-phenoxy)propan-2-ol Openeye Name: 1-[tert-butyl(methyl)amino]-3-(5-nitro-2-pyrrolidin-1-yl-phenoxy)propan-2-ol CAS Name: 1-[tert-butyl(methyl)amino]-3-[5-nitro-2-(1-pyrrolidinyl)phenoxy]-2-propanol IUPAC Name: 1-[tert-butyl(methyl)amino]-3-(5-nitro-2-pyrrolidin-1-ylphenoxy)propan-2-ol Traditional Name: 1-[tert-butyl(methyl)amino]-3-(5-nitro-2-pyrrolidino-phenoxy)propan-2-ol Formula: C18H29N3O4 MolecularWeight: 351.44056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(C)CC(COC1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2)O

Isomeric SMILES

CC(C)(C)N(C)CC(COC1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2)O

InChI

InChI=1S/C18H29N3O4/c1-18(2,3)19(4)12-15(22)13-25-17-11-14(21(23)24)7-8-16(17)20-9-5-6-10-20/h7-8,11,15,22H,5-6,9-10,12-13H2,1-4H3