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

Systemtic Name: ethyl 2-(7-chloranyl-4-oxidanyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)ethanoate Openeye Name: ethyl 2-(7-chloro-4-hydroxy-2-oxo-3H-1,4-benzodiazepin-3-yl)acetate CAS Name: 2-(7-chloro-4-hydroxy-2-oxo-3H-1,4-benzodiazepin-3-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(7-chloro-4-hydroxy-2-oxo-3H-1,4-benzodiazepin-3-yl)acetate Traditional Name: 2-(7-chloro-4-hydroxy-2-keto-3H-1,4-benzodiazepin-3-yl)acetic acid ethyl ester Formula: C13H13ClN2O4 MolecularWeight: 296.70632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)N=C2C=CC(=CC2=CN1O)Cl

Isomeric SMILES

CCOC(=O)CC1C(=O)N=C2C=CC(=CC2=CN1O)Cl

InChI

InChI=1S/C13H13ClN2O4/c1-2-20-12(17)6-11-13(18)15-10-4-3-9(14)5-8(10)7-16(11)19/h3-5,7,11,19H,2,6H2,1H3