3-[[(E)-2-nitro-1-[[4-[2-[[(2R)-2-oxidanyl-2-pyridin-3-yl-ethyl]amino]ethyl]phenyl]amino]ethenyl]amino]benzamide

Systemtic Name: 3-[[(E)-2-nitro-1-[[4-[2-[[(2R)-2-oxidanyl-2-pyridin-3-yl-ethyl]amino]ethyl]phenyl]amino]ethenyl]amino]benzamide Openeye Name: 3-[[(E)-1-[4-[2-[[(2R)-2-hydroxy-2-(3-pyridyl)ethyl]amino]ethyl]anilino]-2-nitro-vinyl]amino]benzamide CAS Name: 3-[[(E)-1-[4-[2-[[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]amino]ethyl]anilino]-2-nitroethenyl]amino]benzamide IUPAC Name: 3-[[(E)-1-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]anilino]-2-nitroethenyl]amino]benzamide Traditional Name: 3-[[(E)-1-[4-[2-[[(2R)-2-hydroxy-2-(3-pyridyl)ethyl]amino]ethyl]anilino]-2-nitro-vinyl]amino]benzamide Formula: C24H26N6O4 MolecularWeight: 462.50104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=C[N+](=O)[O-])NC2=CC=C(C=C2)CCNCC(C3=CN=CC=C3)O)C(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)N/C(=C/[N+](=O)[O-])/NC2=CC=C(C=C2)CCNC[C@@H](C3=CN=CC=C3)O)C(=O)N

InChI

InChI=1S/C24H26N6O4/c25-24(32)18-3-1-5-21(13-18)29-23(16-30(33)34)28-20-8-6-17(7-9-20)10-12-27-15-22(31)19-4-2-11-26-14-19/h1-9,11,13-14,16,22,27-29,31H,10,12,15H2,(H2,25,32)/b23-16+/t22-/m0/s1