(E)-2-(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)-3-(4-isopropyl-3-nitro-phenyl)prop-2-enenitrile CAS Name: (E)-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)-3-(3-nitro-4-propan-2-ylphenyl)-2-propenenitrile IUPAC Name: (E)-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)-3-(3-nitro-4-propan-2-ylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(7-chloro-4-keto-1H-quinazolin-2-yl)-3-(4-isopropyl-3-nitro-phenyl)acrylonitrile Formula: C20H15ClN4O3 MolecularWeight: 394.8111

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)C=C(C#N)C2=NC(=O)C3=C(N2)C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)/C=C(\C#N)/C2=NC(=O)C3=C(N2)C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H15ClN4O3/c1-11(2)15-5-3-12(8-18(15)25(27)28)7-13(10-22)19-23-17-9-14(21)4-6-16(17)20(26)24-19/h3-9,11H,1-2H3,(H,23,24,26)/b13-7+