methyl 2-[7-[bis(oxidanyl)methyl]-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: methyl 2-[7-[bis(oxidanyl)methyl]-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: methyl 2-[7-(dihydroxymethyl)-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[7-(dihydroxymethyl)-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[7-(dihydroxymethyl)-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[7-(dihydroxymethyl)-3-keto-4-methyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid methyl ester Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)C(O)O)NC(C1=O)CC(=O)OC

Isomeric SMILES

CN1CC2=C(C=CC(=C2)C(O)O)NC(C1=O)CC(=O)OC

InChI

InChI=1S/C14H18N2O5/c1-16-7-9-5-8(14(19)20)3-4-10(9)15-11(13(16)18)6-12(17)21-2/h3-5,11,14-15,19-20H,6-7H2,1-2H3