(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]propanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]propanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[4-oxo-3-(p-tolyl)quinazolin-2-yl]propanoate CAS Name: 3-[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]propanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propanoate Traditional Name: 3-[4-keto-3-(p-tolyl)quinazolin-2-yl]propionic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C27H23N3O7 MolecularWeight: 501.48742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CCC(=O)OCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CCC(=O)OCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C27H23N3O7/c1-17-6-8-20(9-7-17)29-24(28-23-5-3-2-4-22(23)27(29)32)10-11-25(31)36-15-19-13-21(30(33)34)12-18-14-35-16-37-26(18)19/h2-9,12-13H,10-11,14-16H2,1H3