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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C20H17ClN4O5 MolecularWeight: 428.82578

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H17ClN4O5/c21-13-4-5-14-15(10-13)22-18(23-19(14)26)11-30-20(27)12-3-6-16(17(9-12)25(28)29)24-7-1-2-8-24/h3-6,9-10H,1-2,7-8,11H2,(H,22,23,26)