ethyl 2-(7-chloranyl-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-1-yl)ethanoate

Systemtic Name: ethyl 2-(7-chloranyl-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-1-yl)ethanoate Openeye Name: ethyl 2-[7-chloro-2-oxo-5-(2-pyridyl)-3H-1,4-benzodiazepin-1-yl]acetate CAS Name: 2-[7-chloro-2-oxo-5-(2-pyridinyl)-3H-1,4-benzodiazepin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-(7-chloro-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-1-yl)acetate Traditional Name: 2-[7-chloro-2-keto-5-(2-pyridyl)-3H-1,4-benzodiazepin-1-yl]acetic acid ethyl ester Formula: C18H16ClN3O3 MolecularWeight: 357.79094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=N3

Isomeric SMILES

CCOC(=O)CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=N3

InChI

InChI=1S/C18H16ClN3O3/c1-2-25-17(24)11-22-15-7-6-12(19)9-13(15)18(21-10-16(22)23)14-5-3-4-8-20-14/h3-9H,2,10-11H2,1H3