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

Systemtic Name: ethyl 4-[6-[(2,4-dichlorophenyl)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(2,4-dichloroanilino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-(2,4-dichloroanilino)-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(2,4-dichloroanilino)-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(2,4-dichloroanilino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C17H18Cl2N6O4 MolecularWeight: 441.26862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H18Cl2N6O4/c1-2-29-17(26)24-7-5-23(6-8-24)16-14(25(27)28)15(20-10-21-16)22-13-4-3-11(18)9-12(13)19/h3-4,9-10H,2,5-8H2,1H3,(H,20,21,22)