1-methyl-4-(3-nitropyridin-2-yl)-1,4-diazepane

Systemtic Name: 1-methyl-4-(3-nitropyridin-2-yl)-1,4-diazepane Openeye Name: 1-methyl-4-(3-nitro-2-pyridyl)-1,4-diazepane CAS Name: 1-methyl-4-(3-nitro-2-pyridinyl)-1,4-diazepane IUPAC Name: 1-methyl-4-(3-nitropyridin-2-yl)-1,4-diazepane Traditional Name: 1-methyl-4-(3-nitro-2-pyridyl)-1,4-diazepane Formula: C11H16N4O2 MolecularWeight: 236.27034

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=C(C=CC=N2)[N+](=O)[O-]

Isomeric SMILES

CN1CCCN(CC1)C2=C(C=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C11H16N4O2/c1-13-6-3-7-14(9-8-13)11-10(15(16)17)4-2-5-12-11/h2,4-5H,3,6-9H2,1H3