2-(methylamino)ethyl nitrate; 2-(3-phenoxyphenyl)propanoic acid

Systemtic Name: 2-(methylamino)ethyl nitrate; 2-(3-phenoxyphenyl)propanoic acid Openeye Name: 2-(methylamino)ethyl nitrate; 2-(3-phenoxyphenyl)propanoic acid CAS Name: nitric acid 2-(methylamino)ethyl ester; 2-(3-phenoxyphenyl)propanoic acid IUPAC Name: 2-(methylamino)ethyl nitrate; 2-(3-phenoxyphenyl)propanoic acid Traditional Name: nitric acid 2-(methylamino)ethyl ester; 2-(3-phenoxyphenyl)propionic acid Formula: C18H22N2O6 MolecularWeight: 362.37708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)O.CNCCO[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)O.CNCCO[N+](=O)[O-]

InChI

InChI=1S/C15H14O3.C3H8N2O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13;1-4-2-3-8-5(6)7/h2-11H,1H3,(H,16,17);4H,2-3H2,1H3