2-[2-[(4aR)-5,11-bis(oxidanylidene)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]-2-oxidanylidene-ethoxy]ethanoic acid

Systemtic Name: 2-[2-[(4aR)-5,11-bis(oxidanylidene)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]-2-oxidanylidene-ethoxy]ethanoic acid Openeye Name: 2-[2-[(4aR)-5,11-dioxo-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]-2-oxo-ethoxy]acetic acid CAS Name: 2-[2-[(4aR)-5,11-dioxo-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]-2-oxoethoxy]acetic acid IUPAC Name: 2-[2-[(4aR)-5,11-dioxo-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]-2-oxoethoxy]acetic acid Traditional Name: 2-[2-[(4aR)-5,11-diketo-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]-2-keto-ethoxy]acetic acid Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(CN1C(=O)COCC(=O)O)C(=O)NC3=CC=CC=C3C2=O

Isomeric SMILES

C1CN2[C@H](CN1C(=O)COCC(=O)O)C(=O)NC3=CC=CC=C3C2=O

InChI

InChI=1S/C16H17N3O6/c20-13(8-25-9-14(21)22)18-5-6-19-12(7-18)15(23)17-11-4-2-1-3-10(11)16(19)24/h1-4,12H,5-9H2,(H,17,23)(H,21,22)/t12-/m1/s1