2-azanyl-N-(2-methyl-5-nitro-phenyl)pentanamide

Systemtic Name: 2-azanyl-N-(2-methyl-5-nitro-phenyl)pentanamide Openeye Name: 2-amino-N-(2-methyl-5-nitro-phenyl)pentanamide CAS Name: 2-amino-N-(2-methyl-5-nitrophenyl)pentanamide IUPAC Name: 2-amino-N-(2-methyl-5-nitrophenyl)pentanamide Traditional Name: 2-amino-N-(2-methyl-5-nitro-phenyl)valeramide Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C)N

Isomeric SMILES

CCCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C)N

InChI

InChI=1S/C12H17N3O3/c1-3-4-10(13)12(16)14-11-7-9(15(17)18)6-5-8(11)2/h5-7,10H,3-4,13H2,1-2H3,(H,14,16)