(E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-(2-nitrophenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-(2-nitrophenyl)prop-2-enenitrile Openeye Name: (E)-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)-3-(2-nitrophenyl)prop-2-enenitrile CAS Name: (E)-2-[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]-3-(2-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-(2-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)-3-(2-nitrophenyl)acrylonitrile Formula: C21H18N6O3 MolecularWeight: 402.40602

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)C(=CC4=CC=CC=C4[N+](=O)[O-])C#N

Isomeric SMILES

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)/C(=C/C4=CC=CC=C4[N+](=O)[O-])/C#N

InChI

InChI=1S/C21H18N6O3/c22-15-17(14-16-6-4-5-9-19(16)27(28)29)20-23-24-21(25-10-12-30-13-11-25)26(20)18-7-2-1-3-8-18/h1-9,14H,10-13H2/b17-14+