ethyl 2-[5-(3-aminocarbonylphenyl)-7,8-dimethoxy-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanoate

Systemtic Name: ethyl 2-[5-(3-aminocarbonylphenyl)-7,8-dimethoxy-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanoate Openeye Name: ethyl 2-[5-(3-carbamoylphenyl)-7,8-dimethoxy-2-oxo-3H-1,4-benzodiazepin-1-yl]acetate CAS Name: 2-[5-(3-carbamoylphenyl)-7,8-dimethoxy-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(3-carbamoylphenyl)-7,8-dimethoxy-2-oxo-3H-1,4-benzodiazepin-1-yl]acetate Traditional Name: 2-[5-(3-carbamoylphenyl)-2-keto-7,8-dimethoxy-3H-1,4-benzodiazepin-1-yl]acetic acid ethyl ester Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)CN=C(C2=CC(=C(C=C21)OC)OC)C3=CC(=CC=C3)C(=O)N

Isomeric SMILES

CCOC(=O)CN1C(=O)CN=C(C2=CC(=C(C=C21)OC)OC)C3=CC(=CC=C3)C(=O)N

InChI

InChI=1S/C22H23N3O6/c1-4-31-20(27)12-25-16-10-18(30-3)17(29-2)9-15(16)21(24-11-19(25)26)13-6-5-7-14(8-13)22(23)28/h5-10H,4,11-12H2,1-3H3,(H2,23,28)