1-(4-azanyl-1,2,5-oxadiazol-3-yl)-N-[(E)-(3-bromophenyl)methylideneamino]-5-(4-nitrophenyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-N-[(E)-(3-bromophenyl)methylideneamino]-5-(4-nitrophenyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(3-bromophenyl)methyleneamino]-5-(4-nitrophenyl)triazole-4-carboxamide CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(3-bromophenyl)methylideneamino]-5-(4-nitrophenyl)-4-triazolecarboxamide IUPAC Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(3-bromophenyl)methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide Traditional Name: 1-(4-aminofurazan-3-yl)-N-[(E)-(3-bromobenzylidene)amino]-5-(4-nitrophenyl)triazole-4-carboxamide Formula: C18H12BrN9O4 MolecularWeight: 498.24978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12BrN9O4/c19-12-3-1-2-10(8-12)9-21-23-18(29)14-15(11-4-6-13(7-5-11)28(30)31)27(26-22-14)17-16(20)24-32-25-17/h1-9H,(H2,20,24)(H,23,29)/b21-9+