N-[(1R)-1-(benzotriazol-1-yl)-2,2-dimethyl-propyl]-4-nitro-aniline

Systemtic Name: N-[(1R)-1-(benzotriazol-1-yl)-2,2-dimethyl-propyl]-4-nitro-aniline Openeye Name: N-[(1R)-1-(benzotriazol-1-yl)-2,2-dimethyl-propyl]-4-nitro-aniline CAS Name: N-[(1R)-1-(1-benzotriazolyl)-2,2-dimethylpropyl]-4-nitroaniline IUPAC Name: N-[(1R)-1-(benzotriazol-1-yl)-2,2-dimethylpropyl]-4-nitroaniline Traditional Name: [(1R)-1-(benzotriazol-1-yl)-2,2-dimethyl-propyl]-(4-nitrophenyl)amine Formula: C17H19N5O2 MolecularWeight: 325.36506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(NC1=CC=C(C=C1)[N+](=O)[O-])N2C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)(C)[C@H](NC1=CC=C(C=C1)[N+](=O)[O-])N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H19N5O2/c1-17(2,3)16(18-12-8-10-13(11-9-12)22(23)24)21-15-7-5-4-6-14(15)19-20-21/h4-11,16,18H,1-3H3/t16-/m1/s1