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

Systemtic Name: 3-[4-(ethylaminomethyl)-2-nitro-phenoxy]propanamide Openeye Name: 3-[4-(ethylaminomethyl)-2-nitro-phenoxy]propanamide CAS Name: 3-[4-(ethylaminomethyl)-2-nitrophenoxy]propanamide IUPAC Name: 3-[4-(ethylaminomethyl)-2-nitrophenoxy]propanamide Traditional Name: 3-[4-(ethylaminomethyl)-2-nitro-phenoxy]propionamide Formula: C12H17N3O4 MolecularWeight: 267.28108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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