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

Systemtic Name: methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)carbonyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(4-methylsulfanyl-3-nitro-benzoyl)oxymethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[4-(methylthio)-3-nitrophenyl]-oxomethoxy]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-methylsulfanyl-3-nitrobenzoyl)oxymethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[4-(methylthio)-3-nitro-benzoyl]oxymethyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C19H15N3O7S MolecularWeight: 429.4033

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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)SC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O7S/c1-28-18(24)10-3-5-12-13(7-10)20-16(21-17(12)23)9-29-19(25)11-4-6-15(30-2)14(8-11)22(26)27/h3-8H,9H2,1-2H3,(H,20,21,23)