methyl 2-[(6S)-6-oxidanyl-2-oxidanylidene-1,5,6,7-tetrahydro-1,4-diazepin-3-yl]ethanoate

Systemtic Name: methyl 2-[(6S)-6-oxidanyl-2-oxidanylidene-1,5,6,7-tetrahydro-1,4-diazepin-3-yl]ethanoate Openeye Name: methyl 2-[(6S)-6-hydroxy-2-oxo-1,5,6,7-tetrahydro-1,4-diazepin-3-yl]acetate CAS Name: 2-[(6S)-6-hydroxy-2-oxo-1,5,6,7-tetrahydro-1,4-diazepin-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(6S)-6-hydroxy-2-oxo-1,5,6,7-tetrahydro-1,4-diazepin-3-yl]acetate Traditional Name: 2-[(6S)-6-hydroxy-2-keto-1,5,6,7-tetrahydro-1,4-diazepin-3-yl]acetic acid methyl ester Formula: C8H12N2O4 MolecularWeight: 200.19188

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=NCC(CNC1=O)O

Isomeric SMILES

COC(=O)CC1=NC[C@H](CNC1=O)O

InChI

InChI=1S/C8H12N2O4/c1-14-7(12)2-6-8(13)10-4-5(11)3-9-6/h5,11H,2-4H2,1H3,(H,10,13)/t5-/m1/s1