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

Systemtic Name: 2-(7-chloranyl-3-ethoxy-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethyl ethanoate Openeye Name: 2-(7-chloro-3-ethoxy-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethyl acetate CAS Name: acetic acid 2-(7-chloro-3-ethoxy-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethyl ester IUPAC Name: 2-(7-chloro-3-ethoxy-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethyl acetate Traditional Name: acetic acid 2-(7-chloro-3-ethoxy-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethyl ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CCOC(=O)C

Isomeric SMILES

CCOC1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CCOC(=O)C

InChI

InChI=1S/C21H21ClN2O4/c1-3-27-20-21(26)24(11-12-28-14(2)25)18-10-9-16(22)13-17(18)19(23-20)15-7-5-4-6-8-15/h4-10,13,20H,3,11-12H2,1-2H3