ethyl 2-methyl-5-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)oxy-1H-indole-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)oxy-1H-indole-3-carboxylate Openeye Name: ethyl 2-methyl-5-[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]oxy-1H-indole-3-carboxylate CAS Name: 2-methyl-5-[[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]oxy]-1H-indole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)oxy-1H-indole-3-carboxylate Traditional Name: 2-methyl-5-(5-nitro-6-piperidino-pyrimidin-4-yl)oxy-1H-indole-3-carboxylic acid ethyl ester Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C1C=C(C=C2)OC3=NC=NC(=C3[N+](=O)[O-])N4CCCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C1C=C(C=C2)OC3=NC=NC(=C3[N+](=O)[O-])N4CCCCC4)C

InChI

InChI=1S/C21H23N5O5/c1-3-30-21(27)17-13(2)24-16-8-7-14(11-15(16)17)31-20-18(26(28)29)19(22-12-23-20)25-9-5-4-6-10-25/h7-8,11-12,24H,3-6,9-10H2,1-2H3