4-methyl-3-nitro-N-(1,2,4-triazol-1-ylmethyl)aniline

Systemtic Name: 4-methyl-3-nitro-N-(1,2,4-triazol-1-ylmethyl)aniline Openeye Name: 4-methyl-3-nitro-N-(1,2,4-triazol-1-ylmethyl)aniline CAS Name: 4-methyl-3-nitro-N-(1,2,4-triazol-1-ylmethyl)aniline IUPAC Name: 4-methyl-3-nitro-N-(1,2,4-triazol-1-ylmethyl)aniline Traditional Name: (4-methyl-3-nitro-phenyl)-(1,2,4-triazol-1-ylmethyl)amine Formula: C10H11N5O2 MolecularWeight: 233.22664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCN2C=NC=N2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NCN2C=NC=N2)[N+](=O)[O-]

InChI

InChI=1S/C10H11N5O2/c1-8-2-3-9(4-10(8)15(16)17)12-7-14-6-11-5-13-14/h2-6,12H,7H2,1H3