N-[(E)-[3-(5-methylfuran-2-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-[3-(5-methylfuran-2-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-[3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-2,4-dinitro-aniline CAS Name: N-[(E)-[3-(5-methyl-2-furanyl)-1-phenyl-4-pyrazolyl]methylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[(E)-[3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]methyleneamino]amine Formula: C21H16N6O5 MolecularWeight: 432.38894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NN(C=C2C=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(O1)C2=NN(C=C2/C=N/NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H16N6O5/c1-14-7-10-20(32-14)21-15(13-25(24-21)16-5-3-2-4-6-16)12-22-23-18-9-8-17(26(28)29)11-19(18)27(30)31/h2-13,23H,1H3/b22-12+