1-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-2-(4-nitrophenyl)diazane

Systemtic Name: 1-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-2-(4-nitrophenyl)diazane Openeye Name: 1-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine CAS Name: 1-[6-(1-azepanyl)-5-nitro-4-pyrimidinyl]-2-(4-nitrophenyl)hydrazine IUPAC Name: 1-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine Traditional Name: 1-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine Formula: C16H19N7O4 MolecularWeight: 373.36656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)NNC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)NNC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H19N7O4/c24-22(25)13-7-5-12(6-8-13)19-20-15-14(23(26)27)16(18-11-17-15)21-9-3-1-2-4-10-21/h5-8,11,19H,1-4,9-10H2,(H,17,18,20)