4-[4-(1-azanylethyl)-2-methoxy-5-nitro-phenoxy]butanoic acid

Systemtic Name: 4-[4-(1-azanylethyl)-2-methoxy-5-nitro-phenoxy]butanoic acid Openeye Name: 4-[4-(1-aminoethyl)-2-methoxy-5-nitro-phenoxy]butanoic acid CAS Name: 4-[4-(1-aminoethyl)-2-methoxy-5-nitrophenoxy]butanoic acid IUPAC Name: 4-[4-(1-aminoethyl)-2-methoxy-5-nitrophenoxy]butanoic acid Traditional Name: 4-[4-(1-aminoethyl)-2-methoxy-5-nitro-phenoxy]butyric acid Formula: C13H18N2O6 MolecularWeight: 298.29182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1[N+](=O)[O-])OCCCC(=O)O)OC)N

Isomeric SMILES

CC(C1=CC(=C(C=C1[N+](=O)[O-])OCCCC(=O)O)OC)N

InChI

InChI=1S/C13H18N2O6/c1-8(14)9-6-11(20-2)12(7-10(9)15(18)19)21-5-3-4-13(16)17/h6-8H,3-5,14H2,1-2H3,(H,16,17)