methyl 2-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(5-nitro-2-pyrrolidin-1-yl-benzoyl)oxymethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethoxy]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(5-nitro-2-pyrrolidin-1-ylbenzoyl)oxymethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[(5-nitro-2-pyrrolidino-benzoyl)oxymethyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C22H20N4O7 MolecularWeight: 452.4168

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C22H20N4O7/c1-32-21(28)13-4-6-15-17(10-13)23-19(24-20(15)27)12-33-22(29)16-11-14(26(30)31)5-7-18(16)25-8-2-3-9-25/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,23,24,27)