2-[4-(methylaminomethyl)-2-nitro-phenoxy]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(methylaminomethyl)-2-nitro-phenoxy]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(methylaminomethyl)-2-nitro-phenoxy]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-(methylaminomethyl)-2-nitrophenoxy]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(methylaminomethyl)-2-nitrophenoxy]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(methylaminomethyl)-2-nitro-phenoxy]-1-pyrrolidino-ethanone Formula: C14H19N3O4 MolecularWeight: 293.31836

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC(=C(C=C1)OCC(=O)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CNCC1=CC(=C(C=C1)OCC(=O)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O4/c1-15-9-11-4-5-13(12(8-11)17(19)20)21-10-14(18)16-6-2-3-7-16/h4-5,8,15H,2-3,6-7,9-10H2,1H3