3-nitro-8,9,10,11,11a,12-hexahydro-7H-azepino[1,2-b]isoquinolin-5-one

Systemtic Name: 3-nitro-8,9,10,11,11a,12-hexahydro-7H-azepino[1,2-b]isoquinolin-5-one Openeye Name: 3-nitro-8,9,10,11,11a,12-hexahydro-7H-azepino[1,2-b]isoquinolin-5-one CAS Name: 3-nitro-8,9,10,11,11a,12-hexahydro-7H-azepino[1,2-b]isoquinolin-5-one IUPAC Name: 3-nitro-8,9,10,11,11a,12-hexahydro-7H-azepino[1,2-b]isoquinolin-5-one Traditional Name: 3-nitro-8,9,10,11,11a,12-hexahydro-7H-azepin[1,2-b]isoquinolin-5-one Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2CC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2CC1

Isomeric SMILES

C1CCC2CC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2CC1

InChI

InChI=1S/C14H16N2O3/c17-14-13-9-12(16(18)19)6-5-10(13)8-11-4-2-1-3-7-15(11)14/h5-6,9,11H,1-4,7-8H2