3-nitro-N-[(E)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]benzamide

Systemtic Name: 3-nitro-N-[(E)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]benzamide Openeye Name: N-[(E)-[3-(4-benzyloxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-3-nitro-benzamide CAS Name: 3-nitro-N-[(E)-[1-phenyl-3-(4-phenylmethoxyphenyl)-4-pyrazolyl]methylideneamino]benzamide IUPAC Name: 3-nitro-N-[(E)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]benzamide Traditional Name: N-[(E)-[3-(4-benzoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-3-nitro-benzamide Formula: C30H23N5O4 MolecularWeight: 517.53472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN(C=C3C=NNC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN(C=C3/C=N/NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C30H23N5O4/c36-30(24-10-7-13-27(18-24)35(37)38)32-31-19-25-20-34(26-11-5-2-6-12-26)33-29(25)23-14-16-28(17-15-23)39-21-22-8-3-1-4-9-22/h1-20H,21H2,(H,32,36)/b31-19+