1-[3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]phenyl]carbonylpiperidine-2-carboxylic acid

Systemtic Name: 1-[3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]phenyl]carbonylpiperidine-2-carboxylic acid Openeye Name: 1-[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]benzoyl]piperidine-2-carboxylic acid CAS Name: 1-[[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]phenyl]-oxomethyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzoyl]piperidine-2-carboxylic acid Traditional Name: 1-[4-[4-(2-keto-4H-3,1-benzoxazin-1-yl)piperidino]-3-nitro-benzoyl]pipecolinic acid Formula: C26H28N4O7 MolecularWeight: 508.52312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(=O)C2=CC(=C(C=C2)N3CCC(CC3)N4C5=CC=CC=C5COC4=O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(=O)C2=CC(=C(C=C2)N3CCC(CC3)N4C5=CC=CC=C5COC4=O)[N+](=O)[O-]

InChI

InChI=1S/C26H28N4O7/c31-24(28-12-4-3-7-22(28)25(32)33)17-8-9-21(23(15-17)30(35)36)27-13-10-19(11-14-27)29-20-6-2-1-5-18(20)16-37-26(29)34/h1-2,5-6,8-9,15,19,22H,3-4,7,10-14,16H2,(H,32,33)