2-[(S)-benzotriazol-1-yl-[(2,4-dimethylphenyl)amino]methyl]-4-nitro-phenol

Systemtic Name: 2-[(S)-benzotriazol-1-yl-[(2,4-dimethylphenyl)amino]methyl]-4-nitro-phenol Openeye Name: 2-[(S)-benzotriazol-1-yl-(2,4-dimethylanilino)methyl]-4-nitro-phenol CAS Name: 2-[(S)-1-benzotriazolyl-(2,4-dimethylanilino)methyl]-4-nitrophenol IUPAC Name: 2-[(S)-benzotriazol-1-yl-(2,4-dimethylanilino)methyl]-4-nitrophenol Traditional Name: 2-[(S)-benzotriazol-1-yl-(2,4-dimethylanilino)methyl]-4-nitro-phenol Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(C2=C(C=CC(=C2)[N+](=O)[O-])O)N3C4=CC=CC=C4N=N3)C

Isomeric SMILES

CC1=CC(=C(C=C1)N[C@H](C2=C(C=CC(=C2)[N+](=O)[O-])O)N3C4=CC=CC=C4N=N3)C

InChI

InChI=1S/C21H19N5O3/c1-13-7-9-17(14(2)11-13)22-21(16-12-15(26(28)29)8-10-20(16)27)25-19-6-4-3-5-18(19)23-24-25/h3-12,21-22,27H,1-2H3/t21-/m0/s1