N-[(E)-[(E)-3-(1-ethyl-3-methyl-pyrazol-4-yl)-1-phenyl-prop-2-enylidene]amino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-[(E)-3-(1-ethyl-3-methyl-pyrazol-4-yl)-1-phenyl-prop-2-enylidene]amino]-2,4-dinitro-aniline Openeye Name: N-[(E)-[(E)-3-(1-ethyl-3-methyl-pyrazol-4-yl)-1-phenyl-prop-2-enylidene]amino]-2,4-dinitro-aniline CAS Name: N-[(E)-[(E)-3-(1-ethyl-3-methyl-4-pyrazolyl)-1-phenylprop-2-enylidene]amino]-2,4-dinitroaniline IUPAC Name: N-[(E)-[(E)-3-(1-ethyl-3-methylpyrazol-4-yl)-1-phenylprop-2-enylidene]amino]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[(E)-[(E)-3-(1-ethyl-3-methyl-pyrazol-4-yl)-1-phenyl-prop-2-enylidene]amino]amine Formula: C21H20N6O4 MolecularWeight: 420.4213

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C=CC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCN1C=C(C(=N1)C)/C=C/C(=N\NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/C3=CC=CC=C3

InChI

InChI=1S/C21H20N6O4/c1-3-25-14-17(15(2)24-25)9-11-19(16-7-5-4-6-8-16)22-23-20-12-10-18(26(28)29)13-21(20)27(30)31/h4-14,23H,3H2,1-2H3/b11-9+,22-19+