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

Systemtic Name: N-[(E)-(5-methoxy-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-(5-methoxy-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]-2,4-dinitro-aniline CAS Name: N-[(E)-(5-methoxy-3-methyl-1-phenyl-4-pyrazolyl)methylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[(E)-(5-methoxy-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]amine Formula: C18H16N6O5 MolecularWeight: 396.35684

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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-])OC)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H16N6O5/c1-12-15(18(29-2)22(21-12)13-6-4-3-5-7-13)11-19-20-16-9-8-14(23(25)26)10-17(16)24(27)28/h3-11,20H,1-2H3/b19-11+