3-[2-(ethylaminomethyl)-4-nitro-phenoxy]-2-methyl-propanamide

Systemtic Name: 3-[2-(ethylaminomethyl)-4-nitro-phenoxy]-2-methyl-propanamide Openeye Name: 3-[2-(ethylaminomethyl)-4-nitro-phenoxy]-2-methyl-propanamide CAS Name: 3-[2-(ethylaminomethyl)-4-nitrophenoxy]-2-methylpropanamide IUPAC Name: 3-[2-(ethylaminomethyl)-4-nitrophenoxy]-2-methylpropanamide Traditional Name: 3-[2-(ethylaminomethyl)-4-nitro-phenoxy]-2-methyl-propionamide Formula: C13H19N3O4 MolecularWeight: 281.30766

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=C(C=CC(=C1)[N+](=O)[O-])OCC(C)C(=O)N

Isomeric SMILES

CCNCC1=C(C=CC(=C1)[N+](=O)[O-])OCC(C)C(=O)N

InChI

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