(2-chloranyl-4-nitro-phenyl)-(5-phenyl-3-propoxy-1,2,4-triazol-1-yl)methanone

Systemtic Name: (2-chloranyl-4-nitro-phenyl)-(5-phenyl-3-propoxy-1,2,4-triazol-1-yl)methanone Openeye Name: (2-chloro-4-nitro-phenyl)-(5-phenyl-3-propoxy-1,2,4-triazol-1-yl)methanone CAS Name: (2-chloro-4-nitrophenyl)-(5-phenyl-3-propoxy-1,2,4-triazol-1-yl)methanone IUPAC Name: (2-chloro-4-nitrophenyl)-(5-phenyl-3-propoxy-1,2,4-triazol-1-yl)methanone Traditional Name: (2-chloro-4-nitro-phenyl)-(5-phenyl-3-propoxy-1,2,4-triazol-1-yl)methanone Formula: C18H15ClN4O4 MolecularWeight: 386.7891

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NN(C(=N1)C2=CC=CC=C2)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCCOC1=NN(C(=N1)C2=CC=CC=C2)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H15ClN4O4/c1-2-10-27-18-20-16(12-6-4-3-5-7-12)22(21-18)17(24)14-9-8-13(23(25)26)11-15(14)19/h3-9,11H,2,10H2,1H3