N-(cyclopropylmethyl)-4-[3-(1-hydroxyethyl)-2-nitro-phenoxy]-N-methyl-butanamide

Systemtic Name: N-(cyclopropylmethyl)-4-[3-(1-hydroxyethyl)-2-nitro-phenoxy]-N-methyl-butanamide Openeye Name: N-(cyclopropylmethyl)-4-[3-(1-hydroxyethyl)-2-nitro-phenoxy]-N-methyl-butanamide CAS Name: N-(cyclopropylmethyl)-4-[3-(1-hydroxyethyl)-2-nitrophenoxy]-N-methylbutanamide IUPAC Name: N-(cyclopropylmethyl)-4-[3-(1-hydroxyethyl)-2-nitrophenoxy]-N-methylbutanamide Traditional Name: N-(cyclopropylmethyl)-4-[3-(1-hydroxyethyl)-2-nitro-phenoxy]-N-methyl-butyramide Formula: C17H24N2O5 MolecularWeight: 336.38286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C(=CC=C1)OCCCC(=O)N(C)CC2CC2)[N+](=O)[O-])O

Isomeric SMILES

CC(C1=C(C(=CC=C1)OCCCC(=O)N(C)CC2CC2)[N+](=O)[O-])O

InChI

InChI=1S/C17H24N2O5/c1-12(20)14-5-3-6-15(17(14)19(22)23)24-10-4-7-16(21)18(2)11-13-8-9-13/h3,5-6,12-13,20H,4,7-11H2,1-2H3