ethyl 4-[6-[(2-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-[(2-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(2-chloroanilino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-(2-chloroanilino)-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(2-chloroanilino)-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(2-chloroanilino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C17H19ClN6O4 MolecularWeight: 406.82356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H19ClN6O4/c1-2-28-17(25)23-9-7-22(8-10-23)16-14(24(26)27)15(19-11-20-16)21-13-6-4-3-5-12(13)18/h3-6,11H,2,7-10H2,1H3,(H,19,20,21)