(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: (8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid (4-keto-8-methyl-1H-quinazolin-2-yl)methyl ester Formula: C20H20N4O6 MolecularWeight: 412.396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C3=CC(=C(C=C3)NCCOC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C3=CC(=C(C=C3)NCCOC)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O6/c1-12-4-3-5-14-18(12)22-17(23-19(14)25)11-30-20(26)13-6-7-15(21-8-9-29-2)16(10-13)24(27)28/h3-7,10,21H,8-9,11H2,1-2H3,(H,22,23,25)