(5-nitrobenzotriazol-1-yl)methyl N-[(4-methylphenyl)amino]carbamate

Systemtic Name: (5-nitrobenzotriazol-1-yl)methyl N-[(4-methylphenyl)amino]carbamate Openeye Name: (5-nitrobenzotriazol-1-yl)methyl N-(4-methylanilino)carbamate CAS Name: N-(4-methylanilino)carbamic acid (5-nitro-1-benzotriazolyl)methyl ester IUPAC Name: (5-nitrobenzotriazol-1-yl)methyl N-(4-methylanilino)carbamate Traditional Name: N-(p-toluidino)carbamic acid (5-nitrobenzotriazol-1-yl)methyl ester Formula: C15H14N6O4 MolecularWeight: 342.30946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NNC(=O)OCN2C3=C(C=C(C=C3)[N+](=O)[O-])N=N2

Isomeric SMILES

CC1=CC=C(C=C1)NNC(=O)OCN2C3=C(C=C(C=C3)[N+](=O)[O-])N=N2

InChI

InChI=1S/C15H14N6O4/c1-10-2-4-11(5-3-10)16-18-15(22)25-9-20-14-7-6-12(21(23)24)8-13(14)17-19-20/h2-8,16H,9H2,1H3,(H,18,22)