(3-nitrophenyl)methyl 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate

Systemtic Name: (3-nitrophenyl)methyl 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate Openeye Name: (3-nitrophenyl)methyl 3-(4-oxo-1H-quinazolin-2-yl)propanoate CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 3-(4-oxo-1H-quinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)propionic acid (3-nitrobenzyl) ester Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)CCC(=O)OCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CCC(=O)OCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5/c22-17(26-11-12-4-3-5-13(10-12)21(24)25)9-8-16-19-15-7-2-1-6-14(15)18(23)20-16/h1-7,10H,8-9,11H2,(H,19,20,23)