[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5/c1-13(19-22-16-7-3-2-6-15(16)20(26)23-19)30-21(27)14-8-9-17(18(12-14)25(28)29)24-10-4-5-11-24/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,22,23,26)/t13-/m1/s1