2,6-dimethyl-7-nitro-5a,11-dihydrochromeno[2,3-b][1,5]benzodiazepin-13-one

Systemtic Name: 2,6-dimethyl-7-nitro-5a,11-dihydrochromeno[2,3-b][1,5]benzodiazepin-13-one Openeye Name: 2,6-dimethyl-7-nitro-5a,11-dihydrochromeno[2,3-b][1,5]benzodiazepin-13-one CAS Name: 2,6-dimethyl-7-nitro-5a,11-dihydro[1]benzopyrano[2,3-b][1,5]benzodiazepin-13-one IUPAC Name: 2,6-dimethyl-7-nitro-5a,11-dihydrochromeno[2,3-b][1,5]benzodiazepin-13-one Traditional Name: 2,6-dimethyl-7-nitro-5a,11-dihydrochromeno[2,3-b][1,5]benzodiazepin-13-one Formula: C18H15N3O4 MolecularWeight: 337.3294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3C(=CNC4=C(N3C)C(=CC=C4)[N+](=O)[O-])C2=O

Isomeric SMILES

CC1=CC2=C(C=C1)OC3C(=CNC4=C(N3C)C(=CC=C4)[N+](=O)[O-])C2=O

InChI

InChI=1S/C18H15N3O4/c1-10-6-7-15-11(8-10)17(22)12-9-19-13-4-3-5-14(21(23)24)16(13)20(2)18(12)25-15/h3-9,18-19H,1-2H3