ethyl (2Z)-2-(3-acetyloxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)ethanoate

Systemtic Name: ethyl (2Z)-2-(3-acetyloxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)ethanoate Openeye Name: ethyl (2Z)-2-(3-acetoxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)acetate CAS Name: (2Z)-2-(3-acetyloxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)acetic acid ethyl ester IUPAC Name: ethyl (2Z)-2-(3-acetyloxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)acetate Traditional Name: (2Z)-2-(3-acetoxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)acetic acid ethyl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C1C(N=C(C2=CC=CC=C2N1)C3=CC=CC=C3)OC(=O)C

Isomeric SMILES

CCOC(=O)/C=C\1/C(N=C(C2=CC=CC=C2N1)C3=CC=CC=C3)OC(=O)C

InChI

InChI=1S/C21H20N2O4/c1-3-26-19(25)13-18-21(27-14(2)24)23-20(15-9-5-4-6-10-15)16-11-7-8-12-17(16)22-18/h4-13,21-22H,3H2,1-2H3/b18-13-