methyl 2-[(2-chloranyl-4-nitro-phenoxy)methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(2-chloranyl-4-nitro-phenoxy)methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(2-chloro-4-nitro-phenoxy)methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[(2-chloro-4-nitrophenoxy)methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chloro-4-nitrophenoxy)methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[(2-chloro-4-nitro-phenoxy)methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H12ClN3O6 MolecularWeight: 389.74668

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H12ClN3O6/c1-26-17(23)9-2-4-11-13(6-9)19-15(20-16(11)22)8-27-14-5-3-10(21(24)25)7-12(14)18/h2-7H,8H2,1H3,(H,19,20,22)