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

Systemtic Name: 1-[7-chloranyl-2,4-bis(oxidanylidene)-5-pyridin-2-yl-1,5-benzodiazepin-1-yl]ethyl ethanoate Openeye Name: 1-[7-chloro-2,4-dioxo-5-(2-pyridyl)-1,5-benzodiazepin-1-yl]ethyl acetate CAS Name: acetic acid 1-[7-chloro-2,4-dioxo-5-(2-pyridinyl)-1,5-benzodiazepin-1-yl]ethyl ester IUPAC Name: 1-(7-chloro-2,4-dioxo-5-pyridin-2-yl-1,5-benzodiazepin-1-yl)ethyl acetate Traditional Name: acetic acid 1-[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(N1C(=O)CC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=CC=N3)OC(=O)C

Isomeric SMILES

CC(N1C(=O)CC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=CC=N3)OC(=O)C

InChI

InChI=1S/C18H16ClN3O4/c1-11(26-12(2)23)21-14-7-6-13(19)9-15(14)22(18(25)10-17(21)24)16-5-3-4-8-20-16/h3-9,11H,10H2,1-2H3