N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(4-nitroimidazol-1-yl)propanamide

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(4-nitroimidazol-1-yl)propanamide Openeye Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(4-nitroimidazol-1-yl)propanamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(4-nitro-1-imidazolyl)propanamide IUPAC Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(4-nitroimidazol-1-yl)propanamide Traditional Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(4-nitroimidazol-1-yl)propionamide Formula: C15H15ClN4O5 MolecularWeight: 366.7564

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)NC(=O)CCN3C=C(N=C3)[N+](=O)[O-])Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)NC(=O)CCN3C=C(N=C3)[N+](=O)[O-])Cl)OC1

InChI

InChI=1S/C15H15ClN4O5/c16-10-6-12-13(25-5-1-4-24-12)7-11(10)18-15(21)2-3-19-8-14(17-9-19)20(22)23/h6-9H,1-5H2,(H,18,21)