1-[3-[[(S)-benzotriazol-1-yl-(5-nitro-2-oxidanyl-phenyl)methyl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[(S)-benzotriazol-1-yl-(5-nitro-2-oxidanyl-phenyl)methyl]amino]phenyl]ethanone Openeye Name: 1-[3-[[(S)-benzotriazol-1-yl-(2-hydroxy-5-nitro-phenyl)methyl]amino]phenyl]ethanone CAS Name: 1-[3-[[(S)-1-benzotriazolyl-(2-hydroxy-5-nitrophenyl)methyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[(S)-benzotriazol-1-yl-(2-hydroxy-5-nitrophenyl)methyl]amino]phenyl]ethanone Traditional Name: 1-[3-[[(S)-benzotriazol-1-yl-(2-hydroxy-5-nitro-phenyl)methyl]amino]phenyl]ethanone Formula: C21H17N5O4 MolecularWeight: 403.39078

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(C2=C(C=CC(=C2)[N+](=O)[O-])O)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)N[C@H](C2=C(C=CC(=C2)[N+](=O)[O-])O)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H17N5O4/c1-13(27)14-5-4-6-15(11-14)22-21(17-12-16(26(29)30)9-10-20(17)28)25-19-8-3-2-7-18(19)23-24-25/h2-12,21-22,28H,1H3/t21-/m0/s1