N-(2-cyano-4-nitro-phenyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(2-cyano-4-nitrophenyl)-1-[(2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Formula: C18H12N6O6 MolecularWeight: 408.32448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])OCN2C=CC(=N2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])OCN2C=CC(=N2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H12N6O6/c19-10-12-9-13(23(26)27)5-6-14(12)20-18(25)15-7-8-22(21-15)11-30-17-4-2-1-3-16(17)24(28)29/h1-9H,11H2,(H,20,25)