2-[(Z)-1-chloranyl-2-(3-methoxy-5-nitro-4-oxidanidyl-phenyl)ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 2-[(Z)-1-chloranyl-2-(3-methoxy-5-nitro-4-oxidanidyl-phenyl)ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: 2-[(Z)-1-chloro-2-(3-methoxy-5-nitro-4-oxido-phenyl)vinyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[(Z)-1-chloro-2-(3-methoxy-5-nitro-4-oxidophenyl)ethenyl]-4-oxo-1H-quinazoline-7-carboxylate IUPAC Name: 2-[(Z)-1-chloro-2-(3-methoxy-5-nitro-4-oxidophenyl)ethenyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[(Z)-1-chloro-2-(3-methoxy-5-nitro-4-oxido-phenyl)vinyl]-4-keto-1H-quinazoline-7-carboxylate Formula: C18H10ClN3O7-2 MolecularWeight: 415.7409

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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)C(=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN3O7/c1-29-14-6-8(5-13(15(14)23)22(27)28)4-11(19)16-20-12-7-9(18(25)26)2-3-10(12)17(24)21-16/h2-7,23H,1H3,(H,25,26)(H,20,21,24)/p-2/b11-4-