N-(5-bromanylpyridin-2-yl)-1-[3-[(2-methyl-3-nitro-phenyl)amino]-3-oxidanylidene-propyl]piperidine-4-carboxamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-1-[3-[(2-methyl-3-nitro-phenyl)amino]-3-oxidanylidene-propyl]piperidine-4-carboxamide Openeye Name: N-(5-bromo-2-pyridyl)-1-[3-(2-methyl-3-nitro-anilino)-3-oxo-propyl]piperidine-4-carboxamide CAS Name: N-(5-bromo-2-pyridinyl)-1-[3-(2-methyl-3-nitroanilino)-3-oxopropyl]-4-piperidinecarboxamide IUPAC Name: N-(5-bromopyridin-2-yl)-1-[3-(2-methyl-3-nitroanilino)-3-oxopropyl]piperidine-4-carboxamide Traditional Name: N-(5-bromo-2-pyridyl)-1-[3-keto-3-(2-methyl-3-nitro-anilino)propyl]isonipecotamide Formula: C21H24BrN5O4 MolecularWeight: 490.35036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCN2CCC(CC2)C(=O)NC3=NC=C(C=C3)Br

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCN2CCC(CC2)C(=O)NC3=NC=C(C=C3)Br

InChI

InChI=1S/C21H24BrN5O4/c1-14-17(3-2-4-18(14)27(30)31)24-20(28)9-12-26-10-7-15(8-11-26)21(29)25-19-6-5-16(22)13-23-19/h2-6,13,15H,7-12H2,1H3,(H,24,28)(H,23,25,29)