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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl (E)-3-(4-nitrophenyl)prop-2-enoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl (E)-3-(4-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(4-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-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-nitrophenyl)acrylic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C18H12ClN3O5 MolecularWeight: 385.75798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN3O5/c19-12-4-7-14-15(9-12)20-16(21-18(14)24)10-27-17(23)8-3-11-1-5-13(6-2-11)22(25)26/h1-9H,10H2,(H,20,21,24)/b8-3+