1-[(4-nitrophenyl)methyl]-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide

Systemtic Name: 1-[(4-nitrophenyl)methyl]-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide Openeye Name: 1-[(4-nitrophenyl)methyl]-N-[(E)-(5-nitro-2-thienyl)methyleneamino]pyrazole-3-carboxamide CAS Name: 1-[(4-nitrophenyl)methyl]-N-[(E)-(5-nitro-2-thiophenyl)methylideneamino]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-nitrophenyl)methyl]-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide Traditional Name: 1-(4-nitrobenzyl)-N-[(E)-(5-nitro-2-thienyl)methyleneamino]pyrazole-3-carboxamide Formula: C16H12N6O5S MolecularWeight: 400.36868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=CC(=N2)C(=O)NN=CC3=CC=C(S3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=CC(=N2)C(=O)N/N=C/C3=CC=C(S3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H12N6O5S/c23-16(18-17-9-13-5-6-15(28-13)22(26)27)14-7-8-20(19-14)10-11-1-3-12(4-2-11)21(24)25/h1-9H,10H2,(H,18,23)/b17-9+