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

Systemtic Name: N-[(S)-benzotriazol-1-yl-(4-nitrophenyl)methyl]-2-methyl-aniline Openeye Name: N-[(S)-benzotriazol-1-yl-(4-nitrophenyl)methyl]-2-methyl-aniline CAS Name: N-[(S)-1-benzotriazolyl-(4-nitrophenyl)methyl]-2-methylaniline IUPAC Name: N-[(S)-benzotriazol-1-yl-(4-nitrophenyl)methyl]-2-methylaniline Traditional Name: [(S)-benzotriazol-1-yl-(4-nitrophenyl)methyl]-(o-tolyl)amine Formula: C20H17N5O2 MolecularWeight: 359.38128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(C2=CC=C(C=C2)[N+](=O)[O-])N3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC=CC=C1N[C@H](C2=CC=C(C=C2)[N+](=O)[O-])N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H17N5O2/c1-14-6-2-3-7-17(14)21-20(15-10-12-16(13-11-15)25(26)27)24-19-9-5-4-8-18(19)22-23-24/h2-13,20-21H,1H3/t20-/m0/s1