2-[7-chloranyl-2,4-bis(oxidanylidene)-5-pyridin-2-yl-1,5-benzodiazepin-1-yl]ethyl ethanoate

Systemtic Name: 2-[7-chloranyl-2,4-bis(oxidanylidene)-5-pyridin-2-yl-1,5-benzodiazepin-1-yl]ethyl ethanoate Openeye Name: 2-[7-chloro-2,4-dioxo-5-(2-pyridyl)-1,5-benzodiazepin-1-yl]ethyl acetate CAS Name: acetic acid 2-[7-chloro-2,4-dioxo-5-(2-pyridinyl)-1,5-benzodiazepin-1-yl]ethyl ester IUPAC Name: 2-(7-chloro-2,4-dioxo-5-pyridin-2-yl-1,5-benzodiazepin-1-yl)ethyl acetate Traditional Name: acetic acid 2-[7-chloro-2,4-diketo-5-(2-pyridyl)-1,5-benzodiazepin-1-yl]ethyl ester Formula: C18H16ClN3O4 MolecularWeight: 373.79034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN1C(=O)CC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=CC=N3

Isomeric SMILES

CC(=O)OCCN1C(=O)CC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=CC=N3

InChI

InChI=1S/C18H16ClN3O4/c1-12(23)26-9-8-21-14-6-5-13(19)10-15(14)22(18(25)11-17(21)24)16-4-2-3-7-20-16/h2-7,10H,8-9,11H2,1H3