(3-chloranyl-5-ethoxy-4-propoxy-phenyl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-5-ethoxy-4-propoxy-phenyl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Openeye Name: (3-chloro-5-ethoxy-4-propoxy-phenyl)-[4-(6-nitro-3-pyridyl)piperazin-1-yl]methanone CAS Name: (3-chloro-5-ethoxy-4-propoxyphenyl)-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methanone IUPAC Name: (3-chloro-5-ethoxy-4-propoxyphenyl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Traditional Name: (3-chloro-5-ethoxy-4-propoxy-phenyl)-[4-(6-nitro-3-pyridyl)piperazino]methanone Formula: C21H25ClN4O5 MolecularWeight: 448.9

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-])OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-])OCC

InChI

InChI=1S/C21H25ClN4O5/c1-3-11-31-20-17(22)12-15(13-18(20)30-4-2)21(27)25-9-7-24(8-10-25)16-5-6-19(23-14-16)26(28)29/h5-6,12-14H,3-4,7-11H2,1-2H3