methyl 2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)oxymethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethoxy]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)oxymethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[(3-nitro-4-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=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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