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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-propenoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)acrylic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C18H11Cl2N3O5 MolecularWeight: 420.20304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1/C=C/C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H11Cl2N3O5/c19-11-3-4-12-14(8-11)21-16(22-18(12)25)9-28-17(24)6-2-10-1-5-13(20)15(7-10)23(26)27/h1-8H,9H2,(H,21,22,25)/b6-2+