(4,5-dimethyl-2-nitro-phenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone

Systemtic Name: (4,5-dimethyl-2-nitro-phenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone Openeye Name: (4,5-dimethyl-2-nitro-phenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone CAS Name: (4,5-dimethyl-2-nitrophenyl)-[2-(hydroxymethyl)-1-pyrrolidinyl]methanone IUPAC Name: (4,5-dimethyl-2-nitrophenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone Traditional Name: (4,5-dimethyl-2-nitro-phenyl)-(2-methylolpyrrolidino)methanone Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C(=O)N2CCCC2CO)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C(=C1)C(=O)N2CCCC2CO)[N+](=O)[O-])C

InChI

InChI=1S/C14H18N2O4/c1-9-6-12(13(16(19)20)7-10(9)2)14(18)15-5-3-4-11(15)8-17/h6-7,11,17H,3-5,8H2,1-2H3