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

Systemtic Name: 2-[4-(aminomethyl)-2-nitro-phenoxy]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(aminomethyl)-2-nitro-phenoxy]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-(aminomethyl)-2-nitrophenoxy]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(aminomethyl)-2-nitrophenoxy]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(aminomethyl)-2-nitro-phenoxy]-1-pyrrolidino-ethanone Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)COC2=C(C=C(C=C2)CN)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)COC2=C(C=C(C=C2)CN)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O4/c14-8-10-3-4-12(11(7-10)16(18)19)20-9-13(17)15-5-1-2-6-15/h3-4,7H,1-2,5-6,8-9,14H2