ethyl 3-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: ethyl 3-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[4-(5-bromo-2-pyridyl)piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(5-bromopyridin-2-yl)piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(5-bromo-2-pyridyl)piperazine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C19H19BrN4O5 MolecularWeight: 463.28196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H19BrN4O5/c1-2-29-19(26)14-9-13(10-16(11-14)24(27)28)18(25)23-7-5-22(6-8-23)17-4-3-15(20)12-21-17/h3-4,9-12H,2,5-8H2,1H3