4-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitro-aniline

Systemtic Name: 4-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitro-aniline Openeye Name: 4-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitro-aniline CAS Name: 4-ethyl-N-[(1-methyl-4-pyrazolyl)methyl]-3-nitroaniline IUPAC Name: 4-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitroaniline Traditional Name: (4-ethyl-3-nitro-phenyl)-[(1-methylpyrazol-4-yl)methyl]amine Formula: C13H16N4O2 MolecularWeight: 260.29174

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NCC2=CN(N=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)NCC2=CN(N=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O2/c1-3-11-4-5-12(6-13(11)17(18)19)14-7-10-8-15-16(2)9-10/h4-6,8-9,14H,3,7H2,1-2H3