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

Systemtic Name: 1-[3-(methylamino)-2-oxidanyl-propyl]-7-nitro-4,5-dihydro-3H-1-benzazepin-2-one Openeye Name: 1-[2-hydroxy-3-(methylamino)propyl]-7-nitro-4,5-dihydro-3H-1-benzazepin-2-one CAS Name: 1-[2-hydroxy-3-(methylamino)propyl]-7-nitro-4,5-dihydro-3H-1-benzazepin-2-one IUPAC Name: 1-[2-hydroxy-3-(methylamino)propyl]-7-nitro-4,5-dihydro-3H-1-benzazepin-2-one Traditional Name: 1-[2-hydroxy-3-(methylamino)propyl]-7-nitro-4,5-dihydro-3H-1-benzazepin-2-one Formula: C14H19N3O4 MolecularWeight: 293.31836

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(CN1C(=O)CCCC2=C1C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CNCC(CN1C(=O)CCCC2=C1C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C14H19N3O4/c1-15-8-12(18)9-16-13-6-5-11(17(20)21)7-10(13)3-2-4-14(16)19/h5-7,12,15,18H,2-4,8-9H2,1H3