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

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (4-oxo-1H-quinazolin-2-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (4-keto-1H-quinazolin-2-yl)methyl ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=NC(=O)C4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=NC(=O)C4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5/c25-19-14-5-1-2-6-15(14)21-18(22-19)12-29-20(26)13-7-8-16(17(11-13)24(27)28)23-9-3-4-10-23/h1-2,5-8,11H,3-4,9-10,12H2,(H,21,22,25)