methyl 3-[(3-methoxy-3-oxidanylidene-propyl)-(4-nitroso-3-oxidanyl-phenyl)amino]propanoate

Systemtic Name: methyl 3-[(3-methoxy-3-oxidanylidene-propyl)-(4-nitroso-3-oxidanyl-phenyl)amino]propanoate Openeye Name: methyl 3-(3-hydroxy-N-(3-methoxy-3-oxo-propyl)-4-nitroso-anilino)propanoate CAS Name: 3-(3-hydroxy-N-(3-methoxy-3-oxopropyl)-4-nitrosoanilino)propanoic acid methyl ester IUPAC Name: methyl 3-(3-hydroxy-N-(3-methoxy-3-oxopropyl)-4-nitrosoanilino)propanoate Traditional Name: 3-(3-hydroxy-N-(3-keto-3-methoxy-propyl)-4-nitroso-anilino)propionic acid methyl ester Formula: C14H18N2O6 MolecularWeight: 310.30252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN(CCC(=O)OC)C1=CC(=C(C=C1)N=O)O

Isomeric SMILES

COC(=O)CCN(CCC(=O)OC)C1=CC(=C(C=C1)N=O)O

InChI

InChI=1S/C14H18N2O6/c1-21-13(18)5-7-16(8-6-14(19)22-2)10-3-4-11(15-20)12(17)9-10/h3-4,9,17H,5-8H2,1-2H3