3-[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile

Systemtic Name: 3-[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: 3-[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: 3-[3-(4-methoxy-3-nitrophenyl)-1-phenyl-4-pyrazolyl]-2-(4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: 3-[3-(4-methoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: 2-(4-keto-1H-quinazolin-2-yl)-3-[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]acrylonitrile Formula: C27H18N6O4 MolecularWeight: 490.46962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H18N6O4/c1-37-24-12-11-17(14-23(24)33(35)36)25-19(16-32(31-25)20-7-3-2-4-8-20)13-18(15-28)26-29-22-10-6-5-9-21(22)27(34)30-26/h2-14,16H,1H3,(H,29,30,34)