(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-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-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C19H12ClN3O7 MolecularWeight: 429.76748

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=CC(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H12ClN3O7/c20-11-2-3-12-13(6-11)21-17(22-19(12)25)8-28-18(24)4-1-10-5-15-16(30-9-29-15)7-14(10)23(26)27/h1-7H,8-9H2,(H,21,22,25)/b4-1+