N-[(1R)-1-(benzotriazol-1-yl)-2-phenyl-ethyl]-3-nitro-aniline

Systemtic Name: N-[(1R)-1-(benzotriazol-1-yl)-2-phenyl-ethyl]-3-nitro-aniline Openeye Name: N-[(1R)-1-(benzotriazol-1-yl)-2-phenyl-ethyl]-3-nitro-aniline CAS Name: N-[(1R)-1-(1-benzotriazolyl)-2-phenylethyl]-3-nitroaniline IUPAC Name: N-[(1R)-1-(benzotriazol-1-yl)-2-phenylethyl]-3-nitroaniline Traditional Name: [(1R)-1-(benzotriazol-1-yl)-2-phenyl-ethyl]-(3-nitrophenyl)amine Formula: C20H17N5O2 MolecularWeight: 359.38128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(NC2=CC(=CC=C2)[N+](=O)[O-])N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](NC2=CC(=CC=C2)[N+](=O)[O-])N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H17N5O2/c26-25(27)17-10-6-9-16(14-17)21-20(13-15-7-2-1-3-8-15)24-19-12-5-4-11-18(19)22-23-24/h1-12,14,20-21H,13H2/t20-/m1/s1