ethyl 2-(3-azanyl-5,9-dimethyl-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl)ethanoate

Systemtic Name: ethyl 2-(3-azanyl-5,9-dimethyl-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl)ethanoate Openeye Name: ethyl 2-(3-amino-5,9-dimethyl-2-oxo-3H-1,4-benzodiazepin-1-yl)acetate CAS Name: 2-(3-amino-5,9-dimethyl-2-oxo-3H-1,4-benzodiazepin-1-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(3-amino-5,9-dimethyl-2-oxo-3H-1,4-benzodiazepin-1-yl)acetate Traditional Name: 2-(3-amino-2-keto-5,9-dimethyl-3H-1,4-benzodiazepin-1-yl)acetic acid ethyl ester Formula: C15H19N3O3 MolecularWeight: 289.32966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C(N=C(C2=C1C(=CC=C2)C)C)N

Isomeric SMILES

CCOC(=O)CN1C(=O)C(N=C(C2=C1C(=CC=C2)C)C)N

InChI

InChI=1S/C15H19N3O3/c1-4-21-12(19)8-18-13-9(2)6-5-7-11(13)10(3)17-14(16)15(18)20/h5-7,14H,4,8,16H2,1-3H3