1-(3-azanyl-2-oxidanyl-propyl)-7-nitro-4,5-dihydro-3H-1-benzazepin-2-one

Systemtic Name: 1-(3-azanyl-2-oxidanyl-propyl)-7-nitro-4,5-dihydro-3H-1-benzazepin-2-one Openeye Name: 1-(3-amino-2-hydroxy-propyl)-7-nitro-4,5-dihydro-3H-1-benzazepin-2-one CAS Name: 1-(3-amino-2-hydroxypropyl)-7-nitro-4,5-dihydro-3H-1-benzazepin-2-one IUPAC Name: 1-(3-amino-2-hydroxypropyl)-7-nitro-4,5-dihydro-3H-1-benzazepin-2-one Traditional Name: 1-(3-amino-2-hydroxy-propyl)-7-nitro-4,5-dihydro-3H-1-benzazepin-2-one Formula: C13H17N3O4 MolecularWeight: 279.29178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)[N+](=O)[O-])N(C(=O)C1)CC(CN)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)[N+](=O)[O-])N(C(=O)C1)CC(CN)O

InChI

InChI=1S/C13H17N3O4/c14-7-11(17)8-15-12-5-4-10(16(19)20)6-9(12)2-1-3-13(15)18/h4-6,11,17H,1-3,7-8,14H2