(E)-3-(4-chloranyl-3-nitro-phenyl)-N-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-propyl-prop-2-enamide

Systemtic Name: (E)-3-(4-chloranyl-3-nitro-phenyl)-N-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-propyl-prop-2-enamide Openeye Name: (E)-3-(4-chloro-3-nitro-phenyl)-N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-N-propyl-prop-2-enamide CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-N-propyl-2-propenamide IUPAC Name: (E)-3-(4-chloro-3-nitrophenyl)-N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-N-propylprop-2-enamide Traditional Name: (E)-N-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-3-(4-chloro-3-nitro-phenyl)-N-propyl-acrylamide Formula: C21H18Cl2N4O4 MolecularWeight: 461.29802

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)C=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)/C=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H18Cl2N4O4/c1-2-9-26(12-19-24-17-11-14(22)5-6-15(17)21(29)25-19)20(28)8-4-13-3-7-16(23)18(10-13)27(30)31/h3-8,10-11H,2,9,12H2,1H3,(H,24,25,29)/b8-4+