N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2,4-dinitro-aniline

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2,4-dinitro-aniline Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2,4-dinitro-aniline CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-2,4-dinitroaniline IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,4-dinitroaniline Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-(2,4-dinitrophenyl)amine Formula: C18H17N5O4 MolecularWeight: 367.35868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O4/c1-12-16(13(2)21(20-12)14-6-4-3-5-7-14)11-19-17-9-8-15(22(24)25)10-18(17)23(26)27/h3-10,19H,11H2,1-2H3