(6-methoxy-3-methyl-4-oxidanyl-11-oxidanylidene-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl) ethanoate

Systemtic Name: (6-methoxy-3-methyl-4-oxidanyl-11-oxidanylidene-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl) ethanoate Openeye Name: (4-hydroxy-6-methoxy-3-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl) acetate CAS Name: acetic acid (4-hydroxy-6-methoxy-3-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl) ester IUPAC Name: (4-hydroxy-6-methoxy-3-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl) acetate Traditional Name: acetic acid (4-hydroxy-11-keto-6-methoxy-3-methyl-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl) ester Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)N3CC(CC3C(N2)OC)OC(=O)C)O

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)N3CC(CC3C(N2)OC)OC(=O)C)O

InChI

InChI=1S/C16H20N2O5/c1-8-4-5-11-13(14(8)20)17-15(22-3)12-6-10(23-9(2)19)7-18(12)16(11)21/h4-5,10,12,15,17,20H,6-7H2,1-3H3