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

Systemtic Name: 2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-(3-nitrophenyl)prop-2-enenitrile Openeye Name: 2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)-3-(3-nitrophenyl)prop-2-enenitrile CAS Name: 2-[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]-3-(3-nitrophenyl)-2-propenenitrile IUPAC Name: 2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-(3-nitrophenyl)prop-2-enenitrile Traditional Name: 2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)-3-(3-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(=CC4=CC(=CC=C4)[N+](=O)[O-])C#N

InChI

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