3-(6-chloranyl-2-methyl-5-nitro-pyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine

Systemtic Name: 3-(6-chloranyl-2-methyl-5-nitro-pyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 3-(6-chloro-2-methyl-5-nitro-pyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 3-(6-chloro-2-methyl-5-nitro-4-pyrimidinyl)-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 3-(6-chloro-2-methyl-5-nitropyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 3-(6-chloro-2-methyl-5-nitro-pyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine Formula: C15H15ClN4O2 MolecularWeight: 318.7582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN4O2/c1-10-17-14(16)13(20(21)22)15(18-10)19-8-6-11-4-2-3-5-12(11)7-9-19/h2-5H,6-9H2,1H3