methyl 2-[6-azanyl-3-(hydroxymethyl)-7-oxidanylidene-5,6-dihydro-2H-azepin-1-yl]ethanoate

Systemtic Name: methyl 2-[6-azanyl-3-(hydroxymethyl)-7-oxidanylidene-5,6-dihydro-2H-azepin-1-yl]ethanoate Openeye Name: methyl 2-[6-amino-3-(hydroxymethyl)-7-oxo-5,6-dihydro-2H-azepin-1-yl]acetate CAS Name: 2-[6-amino-3-(hydroxymethyl)-7-oxo-5,6-dihydro-2H-azepin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-amino-3-(hydroxymethyl)-7-oxo-5,6-dihydro-2H-azepin-1-yl]acetate Traditional Name: 2-(6-amino-7-keto-3-methylol-5,6-dihydro-2H-azepin-1-yl)acetic acid methyl ester Formula: C10H16N2O4 MolecularWeight: 228.24504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1CC(=CCC(C1=O)N)CO

Isomeric SMILES

COC(=O)CN1CC(=CCC(C1=O)N)CO

InChI

InChI=1S/C10H16N2O4/c1-16-9(14)5-12-4-7(6-13)2-3-8(11)10(12)15/h2,8,13H,3-6,11H2,1H3