2-[2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]oxyethanol

Systemtic Name: 2-[2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]oxyethanol Openeye Name: 2-[2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]oxyethanol CAS Name: 2-[[2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]oxy]ethanol IUPAC Name: 2-[2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]oxyethanol Traditional Name: 2-[2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]oxyethanol Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)OCCO)[N+](=O)[O-])N2CCC3=CC=CC=C3CC2

Isomeric SMILES

CC1=NC(=C(C(=N1)OCCO)[N+](=O)[O-])N2CCC3=CC=CC=C3CC2

InChI

InChI=1S/C17H20N4O4/c1-12-18-16(15(21(23)24)17(19-12)25-11-10-22)20-8-6-13-4-2-3-5-14(13)7-9-20/h2-5,22H,6-11H2,1H3