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

Systemtic Name: N-[(S)-benzotriazol-1-yl-(3-nitrophenyl)methyl]-4-methyl-aniline Openeye Name: N-[(S)-benzotriazol-1-yl-(3-nitrophenyl)methyl]-4-methyl-aniline CAS Name: N-[(S)-1-benzotriazolyl-(3-nitrophenyl)methyl]-4-methylaniline IUPAC Name: N-[(S)-benzotriazol-1-yl-(3-nitrophenyl)methyl]-4-methylaniline Traditional Name: [(S)-benzotriazol-1-yl-(3-nitrophenyl)methyl]-(p-tolyl)amine Formula: C20H17N5O2 MolecularWeight: 359.38128

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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

Isomeric SMILES

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

InChI

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