methyl 4-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methoxy]-3-nitro-benzoate Openeye Name: methyl 4-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methoxy]-3-nitro-benzoate CAS Name: 4-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methoxy]-3-nitrobenzoate Traditional Name: 4-[(6-chloro-4-keto-1H-quinazolin-2-yl)methoxy]-3-nitro-benzoic acid methyl ester Formula: C17H12ClN3O6 MolecularWeight: 389.74668

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)[N+](=O)[O-]

InChI

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