N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Formula: C18H13N5O4 MolecularWeight: 363.32692

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O4/c1-22-10-14(23(25)26)16(21-22)17(24)19-12-8-6-11(7-9-12)18-20-13-4-2-3-5-15(13)27-18/h2-10H,1H3,(H,19,24)