2-methyl-5-nitro-6-(7-nitro-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidin-4-one

Systemtic Name: 2-methyl-5-nitro-6-(7-nitro-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidin-4-one Openeye Name: 2-methyl-5-nitro-6-(7-nitro-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidin-4-one CAS Name: 2-methyl-5-nitro-6-(7-nitro-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidin-4-one IUPAC Name: 2-methyl-5-nitro-6-(7-nitro-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidin-4-one Traditional Name: 2-methyl-5-nitro-6-(7-nitro-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidin-4-one Formula: C15H15N5O5 MolecularWeight: 345.3101

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)N2CCC3=C(CC2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=O)C(=C(N1)N2CCC3=C(CC2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H15N5O5/c1-9-16-14(13(20(24)25)15(21)17-9)18-6-4-10-2-3-12(19(22)23)8-11(10)5-7-18/h2-3,8H,4-7H2,1H3,(H,16,17,21)