[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(methylamino)-5-nitro-phenyl]methanone

Systemtic Name: [2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(methylamino)-5-nitro-phenyl]methanone Openeye Name: [2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(methylamino)-5-nitro-phenyl]methanone CAS Name: [2-(hydroxymethyl)-1-pyrrolidinyl]-[2-(methylamino)-5-nitrophenyl]methanone IUPAC Name: [2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(methylamino)-5-nitrophenyl]methanone Traditional Name: [2-(methylamino)-5-nitro-phenyl]-(2-methylolpyrrolidino)methanone Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCCC2CO

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCCC2CO

InChI

InChI=1S/C13H17N3O4/c1-14-12-5-4-9(16(19)20)7-11(12)13(18)15-6-2-3-10(15)8-17/h4-5,7,10,14,17H,2-3,6,8H2,1H3