1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(6-nitro-2,3-dihydroindol-1-yl)butane-1,4-dione

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(6-nitro-2,3-dihydroindol-1-yl)butane-1,4-dione Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(6-nitroindolin-1-yl)butane-1,4-dione CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(6-nitro-2,3-dihydroindol-1-yl)butane-1,4-dione IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(6-nitro-2,3-dihydroindol-1-yl)butane-1,4-dione Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(6-nitroindolin-1-yl)butane-1,4-dione Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)N3CCC4=C3C=C(C=C4)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)N3CCC4=C3C=C(C=C4)[N+](=O)[O-])OC1

InChI

InChI=1S/C21H20N2O6/c24-18(15-3-6-19-20(12-15)29-11-1-10-28-19)5-7-21(25)22-9-8-14-2-4-16(23(26)27)13-17(14)22/h2-4,6,12-13H,1,5,7-11H2