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

Systemtic Name: 2-[4-(aminomethyl)-2-nitro-phenoxy]-N-butan-2-yl-ethanamide Openeye Name: 2-[4-(aminomethyl)-2-nitro-phenoxy]-N-sec-butyl-acetamide CAS Name: 2-[4-(aminomethyl)-2-nitrophenoxy]-N-butan-2-ylacetamide IUPAC Name: 2-[4-(aminomethyl)-2-nitrophenoxy]-N-butan-2-ylacetamide Traditional Name: 2-[4-(aminomethyl)-2-nitro-phenoxy]-N-sec-butyl-acetamide Formula: C13H19N3O4 MolecularWeight: 281.30766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O4/c1-3-9(2)15-13(17)8-20-12-5-4-10(7-14)6-11(12)16(18)19/h4-6,9H,3,7-8,14H2,1-2H3,(H,15,17)