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

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (4-oxo-1H-quinazolin-2-yl)methyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid (4-keto-1H-quinazolin-2-yl)methyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=NC(=O)C4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=NC(=O)C4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5/c26-20-15-6-2-3-7-16(15)22-19(23-20)13-30-21(27)14-8-9-17(18(12-14)25(28)29)24-10-4-1-5-11-24/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,22,23,26)