2-ethanoyl-4-[(E)-(4-nitrophenyl)methylideneamino]-5-phenyl-1,2,4-triazol-3-one

Systemtic Name: 2-ethanoyl-4-[(E)-(4-nitrophenyl)methylideneamino]-5-phenyl-1,2,4-triazol-3-one Openeye Name: 2-acetyl-4-[(E)-(4-nitrophenyl)methyleneamino]-5-phenyl-1,2,4-triazol-3-one CAS Name: 2-acetyl-4-[(E)-(4-nitrophenyl)methylideneamino]-5-phenyl-1,2,4-triazol-3-one IUPAC Name: 2-acetyl-4-[(E)-(4-nitrophenyl)methylideneamino]-5-phenyl-1,2,4-triazol-3-one Traditional Name: 2-acetyl-4-[(E)-(4-nitrobenzylidene)amino]-5-phenyl-1,2,4-triazol-3-one Formula: C17H13N5O4 MolecularWeight: 351.31622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=O)N(C(=N1)C2=CC=CC=C2)N=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1C(=O)N(C(=N1)C2=CC=CC=C2)/N=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O4/c1-12(23)20-17(24)21(16(19-20)14-5-3-2-4-6-14)18-11-13-7-9-15(10-8-13)22(25)26/h2-11H,1H3/b18-11+