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

Systemtic Name: N-[(E)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]-2,4-dinitro-aniline CAS Name: N-[(E)-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2,4-dinitroaniline Traditional Name: [(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]-(2,4-dinitrophenyl)amine Formula: C17H13ClN6O4 MolecularWeight: 400.77592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl)C3=CC=CC=C3

InChI

InChI=1S/C17H13ClN6O4/c1-11-14(17(18)22(21-11)12-5-3-2-4-6-12)10-19-20-15-8-7-13(23(25)26)9-16(15)24(27)28/h2-10,20H,1H3/b19-10+