2,4-dinitro-N-[(E)-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methylideneamino]aniline

Systemtic Name: 2,4-dinitro-N-[(E)-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methylideneamino]aniline Openeye Name: N-[(E)-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methyleneamino]-2,4-dinitro-aniline CAS Name: 2,4-dinitro-N-[(E)-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methylideneamino]aniline IUPAC Name: N-[(E)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2,4-dinitroaniline Traditional Name: [(E)-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methyleneamino]-(2,4-dinitrophenyl)amine Formula: C22H17N7O4 MolecularWeight: 443.41488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)C=NNC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)/C=N/NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H17N7O4/c30-28(31)19-8-9-20(21(11-19)29(32)33)25-24-13-18-15-27(14-16-5-2-1-3-6-16)26-22(18)17-7-4-10-23-12-17/h1-13,15,25H,14H2/b24-13+