ethyl 4-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-(1-benzotriazolyl)-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(benzotriazol-1-yl)-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C17H18N8O4 MolecularWeight: 398.37602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H18N8O4/c1-2-29-17(26)23-9-7-22(8-10-23)15-14(25(27)28)16(19-11-18-15)24-13-6-4-3-5-12(13)20-21-24/h3-6,11H,2,7-10H2,1H3