4-[(Z)-2-chloranyl-2-(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)ethenyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(Z)-2-chloranyl-2-(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)ethenyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(Z)-2-chloro-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)vinyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(Z)-2-chloro-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)ethenyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(Z)-2-chloro-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)ethenyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(Z)-2-chloro-2-(7-chloro-4-keto-1H-quinazolin-2-yl)vinyl]-2-methoxy-6-nitro-phenolate Formula: C17H10Cl2N3O5- MolecularWeight: 407.1844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C(C2=NC(=O)C3=C(N2)C=C(C=C3)Cl)Cl

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C(/C2=NC(=O)C3=C(N2)C=C(C=C3)Cl)\Cl

InChI

InChI=1S/C17H11Cl2N3O5/c1-27-14-6-8(5-13(15(14)23)22(25)26)4-11(19)16-20-12-7-9(18)2-3-10(12)17(24)21-16/h2-7,23H,1H3,(H,20,21,24)/p-1/b11-4-