N-[5-nitro-4-oxidanylidene-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidin-2-yl]ethanamide

Systemtic Name: N-[5-nitro-4-oxidanylidene-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidin-2-yl]ethanamide Openeye Name: N-[5-nitro-4-oxo-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidin-2-yl]acetamide CAS Name: N-[5-nitro-4-oxo-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidin-2-yl]acetamide IUPAC Name: N-[5-nitro-4-oxo-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidin-2-yl]acetamide Traditional Name: N-[4-keto-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidin-2-yl]acetamide Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C(=C(N1)N2CCC3=CC=CC=C3CC2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=NC(=O)C(=C(N1)N2CCC3=CC=CC=C3CC2)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O4/c1-10(22)17-16-18-14(13(21(24)25)15(23)19-16)20-8-6-11-4-2-3-5-12(11)7-9-20/h2-5H,6-9H2,1H3,(H2,17,18,19,22,23)