[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-methyl-6-nitro-benzoate

Systemtic Name: [3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-methyl-6-nitro-benzoate Openeye Name: [3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]methyl 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [3-(2-furfuryl)-4-keto-quinazolin-2-yl]methyl ester Formula: C22H17N3O6 MolecularWeight: 419.38688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4

InChI

InChI=1S/C22H17N3O6/c1-14-6-4-10-18(25(28)29)20(14)22(27)31-13-19-23-17-9-3-2-8-16(17)21(26)24(19)12-15-7-5-11-30-15/h2-11H,12-13H2,1H3