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

Systemtic Name: ethyl 1-(4-bromophenyl)-2-methyl-5-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)oxy-indole-3-carboxylate Openeye Name: ethyl 1-(4-bromophenyl)-2-methyl-5-[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]oxy-indole-3-carboxylate CAS Name: 1-(4-bromophenyl)-2-methyl-5-[[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]oxy]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-bromophenyl)-2-methyl-5-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)oxyindole-3-carboxylate Traditional Name: 1-(4-bromophenyl)-2-methyl-5-(5-nitro-6-piperidino-pyrimidin-4-yl)oxy-indole-3-carboxylic acid ethyl ester Formula: C27H26BrN5O5 MolecularWeight: 580.42984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC3=NC=NC(=C3[N+](=O)[O-])N4CCCCC4)C5=CC=C(C=C5)Br)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC3=NC=NC(=C3[N+](=O)[O-])N4CCCCC4)C5=CC=C(C=C5)Br)C

InChI

InChI=1S/C27H26BrN5O5/c1-3-37-27(34)23-17(2)32(19-9-7-18(28)8-10-19)22-12-11-20(15-21(22)23)38-26-24(33(35)36)25(29-16-30-26)31-13-5-4-6-14-31/h7-12,15-16H,3-6,13-14H2,1-2H3