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

Systemtic Name: N-[(S)-benzotriazol-1-yl-(4-nitrophenyl)methyl]-4-methyl-benzamide Openeye Name: N-[(S)-benzotriazol-1-yl-(4-nitrophenyl)methyl]-4-methyl-benzamide CAS Name: N-[(S)-1-benzotriazolyl-(4-nitrophenyl)methyl]-4-methylbenzamide IUPAC Name: N-[(S)-benzotriazol-1-yl-(4-nitrophenyl)methyl]-4-methylbenzamide Traditional Name: N-[(S)-benzotriazol-1-yl-(4-nitrophenyl)methyl]-4-methyl-benzamide Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5O3/c1-14-6-8-16(9-7-14)21(27)22-20(15-10-12-17(13-11-15)26(28)29)25-19-5-3-2-4-18(19)23-24-25/h2-13,20H,1H3,(H,22,27)/t20-/m0/s1