3-[[4-[(E)-2-nitro-1-pyrrolidin-1-yl-ethenyl]piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 3-[[4-[(E)-2-nitro-1-pyrrolidin-1-yl-ethenyl]piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[[4-[(E)-2-nitro-1-pyrrolidin-1-yl-vinyl]piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[[4-[(E)-2-nitro-1-(1-pyrrolidinyl)ethenyl]-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[[4-[(E)-2-nitro-1-pyrrolidin-1-ylethenyl]piperazin-1-yl]methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[[4-[(E)-2-nitro-1-pyrrolidino-vinyl]piperazino]methyl]-2-phenyl-cinchoninic acid Formula: C27H29N5O4 MolecularWeight: 487.55026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=C[N+](=O)[O-])N2CCN(CC2)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CCN(C1)/C(=C\[N+](=O)[O-])/N2CCN(CC2)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C27H29N5O4/c33-27(34)25-21-10-4-5-11-23(21)28-26(20-8-2-1-3-9-20)22(25)18-29-14-16-31(17-15-29)24(19-32(35)36)30-12-6-7-13-30/h1-5,8-11,19H,6-7,12-18H2,(H,33,34)/b24-19+