(1E)-3-butoxy-3-oxidanylidene-2-(2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)-1-pyrrol-2-ylidene-propan-1-olate

Systemtic Name: (1E)-3-butoxy-3-oxidanylidene-2-(2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)-1-pyrrol-2-ylidene-propan-1-olate Openeye Name: (1E)-3-butoxy-3-oxo-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-1-pyrrol-2-ylidene-propan-1-olate CAS Name: (1E)-3-butoxy-3-oxo-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-1-(2-pyrrolylidene)-1-propanolate IUPAC Name: (1E)-3-butoxy-3-oxo-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-1-pyrrol-2-ylidenepropan-1-olate Traditional Name: (1E)-3-butoxy-3-keto-2-(2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl)-1-pyrrol-2-ylidene-propan-1-olate Formula: C26H24N3O4- MolecularWeight: 442.48646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C(=C1C=CC=N1)[O-])N2C(=O)CN=C(C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)C(/C(=C\1/C=CC=N1)/[O-])N2C(=O)CN=C(C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O4/c1-2-3-16-33-26(32)24(25(31)20-13-9-15-27-20)29-21-14-8-7-12-19(21)23(28-17-22(29)30)18-10-5-4-6-11-18/h4-15,24,31H,2-3,16-17H2,1H3/p-1/b25-20+