methyl (2E)-2-(6-methoxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)ethanoate

Systemtic Name: methyl (2E)-2-(6-methoxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)ethanoate Openeye Name: methyl (2E)-2-(6-methoxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)acetate CAS Name: (2E)-2-(6-methoxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)acetic acid methyl ester IUPAC Name: methyl (2E)-2-(6-methoxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)acetate Traditional Name: (2E)-2-(6-methoxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)acetic acid methyl ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)OC)CN=C(C2=C1C=CC=C2OC)C3=CC=CC=C3

Isomeric SMILES

CN1/C(=C/C(=O)OC)/CN=C(C2=C1C=CC=C2OC)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3/c1-22-15(12-18(23)25-3)13-21-20(14-8-5-4-6-9-14)19-16(22)10-7-11-17(19)24-2/h4-12H,13H2,1-3H3/b15-12+