3-methoxy-9-(3-methoxy-4-nitro-phenyl)-2-(oxan-2-ylmethoxy)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one

Systemtic Name: 3-methoxy-9-(3-methoxy-4-nitro-phenyl)-2-(oxan-2-ylmethoxy)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Openeye Name: 3-methoxy-9-(3-methoxy-4-nitro-phenyl)-2-(tetrahydropyran-2-ylmethoxy)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one CAS Name: 3-methoxy-9-(3-methoxy-4-nitrophenyl)-2-(2-oxanylmethoxy)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one IUPAC Name: 3-methoxy-9-(3-methoxy-4-nitrophenyl)-2-(oxan-2-ylmethoxy)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Traditional Name: 3-methoxy-9-(3-methoxy-4-nitro-phenyl)-2-(tetrahydropyran-2-ylmethoxy)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Formula: C27H27N3O7 MolecularWeight: 505.51918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)NC4=CC(=C(C=C4N3)OCC5CCCCO5)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)NC4=CC(=C(C=C4N3)OCC5CCCCO5)OC)[N+](=O)[O-]

InChI

InChI=1S/C27H27N3O7/c1-34-24-12-17(7-9-23(24)30(32)33)16-6-8-19-20(11-16)28-21-14-26(37-15-18-5-3-4-10-36-18)25(35-2)13-22(21)29-27(19)31/h6-9,11-14,18,28H,3-5,10,15H2,1-2H3,(H,29,31)