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

Systemtic Name: 4-[3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]phenyl]carbonylpiperazine-1-carboxylic acid Openeye Name: 4-[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]benzoyl]piperazine-1-carboxylic acid CAS Name: 4-[[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzoyl]piperazine-1-carboxylic acid Traditional Name: 4-[4-[4-(2-keto-4H-3,1-benzoxazin-1-yl)piperidino]-3-nitro-benzoyl]piperazine-1-carboxylic acid Formula: C25H27N5O7 MolecularWeight: 509.51118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3COC2=O)C4=C(C=C(C=C4)C(=O)N5CCN(CC5)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3COC2=O)C4=C(C=C(C=C4)C(=O)N5CCN(CC5)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C25H27N5O7/c31-23(27-11-13-28(14-12-27)24(32)33)17-5-6-21(22(15-17)30(35)36)26-9-7-19(8-10-26)29-20-4-2-1-3-18(20)16-37-25(29)34/h1-6,15,19H,7-14,16H2,(H,32,33)