4-[1-azanyl-3-(5-nitro-2-piperidin-1-yl-phenyl)-1-oxidanylidene-hexan-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-3-(5-nitro-2-piperidin-1-yl-phenyl)-1-oxidanylidene-hexan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-2-[5-nitro-2-(1-piperidyl)phenyl]pentyl]benzoic acid CAS Name: 4-[1-amino-3-[5-nitro-2-(1-piperidinyl)phenyl]-1-oxohexan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-(5-nitro-2-piperidin-1-ylphenyl)-1-oxohexan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-2-(5-nitro-2-piperidino-phenyl)pentyl]benzoic acid Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCCC2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

CCCC(C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCCC2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C24H29N3O5/c1-2-6-19(22(23(25)28)16-7-9-17(10-8-16)24(29)30)20-15-18(27(31)32)11-12-21(20)26-13-4-3-5-14-26/h7-12,15,19,22H,2-6,13-14H2,1H3,(H2,25,28)(H,29,30)