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

Systemtic Name: 2-[2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]oxyethylcarbamic acid Openeye Name: 2-[2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]oxyethylcarbamic acid CAS Name: 2-[[2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]oxy]ethylcarbamic acid IUPAC Name: 2-[2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]oxyethylcarbamic acid Traditional Name: 2-[2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]oxyethylcarbamic acid Formula: C18H21N5O5 MolecularWeight: 387.38984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O5/c1-12-20-16(22-9-6-13-4-2-3-5-14(13)7-10-22)15(23(26)27)17(21-12)28-11-8-19-18(24)25/h2-5,19H,6-11H2,1H3,(H,24,25)