N-[(S)-benzotriazol-1-yl-(3-nitrophenyl)methyl]-2,4-dimethyl-aniline

Systemtic Name: N-[(S)-benzotriazol-1-yl-(3-nitrophenyl)methyl]-2,4-dimethyl-aniline Openeye Name: N-[(S)-benzotriazol-1-yl-(3-nitrophenyl)methyl]-2,4-dimethyl-aniline CAS Name: N-[(S)-1-benzotriazolyl-(3-nitrophenyl)methyl]-2,4-dimethylaniline IUPAC Name: N-[(S)-benzotriazol-1-yl-(3-nitrophenyl)methyl]-2,4-dimethylaniline Traditional Name: [(S)-benzotriazol-1-yl-(3-nitrophenyl)methyl]-(2,4-dimethylphenyl)amine Formula: C21H19N5O2 MolecularWeight: 373.40786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O2/c1-14-10-11-18(15(2)12-14)22-21(16-6-5-7-17(13-16)26(27)28)25-20-9-4-3-8-19(20)23-24-25/h3-13,21-22H,1-2H3/t21-/m0/s1