2-[4-(aminomethyl)-2-nitro-phenoxy]-N-propyl-ethanamide

Systemtic Name: 2-[4-(aminomethyl)-2-nitro-phenoxy]-N-propyl-ethanamide Openeye Name: 2-[4-(aminomethyl)-2-nitro-phenoxy]-N-propyl-acetamide CAS Name: 2-[4-(aminomethyl)-2-nitrophenoxy]-N-propylacetamide IUPAC Name: 2-[4-(aminomethyl)-2-nitrophenoxy]-N-propylacetamide Traditional Name: 2-[4-(aminomethyl)-2-nitro-phenoxy]-N-propyl-acetamide Formula: C12H17N3O4 MolecularWeight: 267.28108

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)COC1=C(C=C(C=C1)CN)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)COC1=C(C=C(C=C1)CN)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O4/c1-2-5-14-12(16)8-19-11-4-3-9(7-13)6-10(11)15(17)18/h3-4,6H,2,5,7-8,13H2,1H3,(H,14,16)