3-(6-ethoxy-2-methyl-5-nitro-pyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-5-ol

Systemtic Name: 3-(6-ethoxy-2-methyl-5-nitro-pyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-5-ol Openeye Name: 3-(6-ethoxy-2-methyl-5-nitro-pyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-5-ol CAS Name: 3-(6-ethoxy-2-methyl-5-nitro-4-pyrimidinyl)-1,2,4,5-tetrahydro-3-benzazepin-5-ol IUPAC Name: 3-(6-ethoxy-2-methyl-5-nitropyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-5-ol Traditional Name: 3-(6-ethoxy-2-methyl-5-nitro-pyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-5-ol Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC(=C1[N+](=O)[O-])N2CCC3=CC=CC=C3C(C2)O)C

Isomeric SMILES

CCOC1=NC(=NC(=C1[N+](=O)[O-])N2CCC3=CC=CC=C3C(C2)O)C

InChI

InChI=1S/C17H20N4O4/c1-3-25-17-15(21(23)24)16(18-11(2)19-17)20-9-8-12-6-4-5-7-13(12)14(22)10-20/h4-7,14,22H,3,8-10H2,1-2H3