[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-methoxy-3-nitro-benzoate

Systemtic Name: [3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-methoxy-3-nitro-benzoate Openeye Name: [3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]methyl 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [3-(2-furfuryl)-4-keto-quinazolin-2-yl]methyl ester Formula: C22H17N3O7 MolecularWeight: 435.38628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O7/c1-30-19-9-8-14(11-18(19)25(28)29)22(27)32-13-20-23-17-7-3-2-6-16(17)21(26)24(20)12-15-5-4-10-31-15/h2-11H,12-13H2,1H3