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

Systemtic Name: 3-(6-ethoxy-2-methyl-5-nitro-pyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 3-(6-ethoxy-2-methyl-5-nitro-pyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 3-(6-ethoxy-2-methyl-5-nitro-4-pyrimidinyl)-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 3-(6-ethoxy-2-methyl-5-nitropyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 3-(6-ethoxy-2-methyl-5-nitro-pyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC(=C1[N+](=O)[O-])N2CCC3=CC=CC=C3CC2)C

Isomeric SMILES

CCOC1=NC(=NC(=C1[N+](=O)[O-])N2CCC3=CC=CC=C3CC2)C

InChI

InChI=1S/C17H20N4O3/c1-3-24-17-15(21(22)23)16(18-12(2)19-17)20-10-8-13-6-4-5-7-14(13)9-11-20/h4-7H,3,8-11H2,1-2H3