ethyl 4-(6-naphthalen-1-yloxy-5-nitro-pyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(6-naphthalen-1-yloxy-5-nitro-pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(1-naphthyloxy)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-(1-naphthalenyloxy)-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-[6-(1-naphthoxy)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)OC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)OC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O5/c1-2-30-21(27)25-12-10-24(11-13-25)19-18(26(28)29)20(23-14-22-19)31-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,14H,2,10-13H2,1H3