ethyl 5-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-methyl-amino]-1H-pyrazole-4-carboxylate CAS Name: 5-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]-methylamino]-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]-methylamino]-1H-pyrazole-4-carboxylate Traditional Name: 5-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-methyl-amino]-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C17H16ClN7O4 MolecularWeight: 417.80644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1)N(C)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(NN=C1)N(C)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H16ClN7O4/c1-3-29-16(26)12-8-20-23-14(12)24(2)15-13(25(27)28)9-19-17(22-15)21-11-6-4-10(18)5-7-11/h4-9H,3H2,1-2H3,(H,20,23)(H,19,21,22)