(3E)-3-[(3-methoxy-5-nitro-4-oxidanidyl-phenyl)methylidene]-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate

Systemtic Name: (3E)-3-[(3-methoxy-5-nitro-4-oxidanidyl-phenyl)methylidene]-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: (3E)-3-[(3-methoxy-5-nitro-4-oxido-phenyl)methylene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate CAS Name: (3E)-3-[(3-methoxy-5-nitro-4-oxidophenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate IUPAC Name: (3E)-3-[(3-methoxy-5-nitro-4-oxidophenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: (3E)-9-keto-3-(3-methoxy-5-nitro-4-oxido-benzylidene)-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Formula: C20H13N3O7-2 MolecularWeight: 407.33312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C2CCN3C2=NC4=C(C3=O)C=CC(=C4)C(=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C/2\CCN3C2=NC4=C(C3=O)C=CC(=C4)C(=O)[O-]

InChI

InChI=1S/C20H15N3O7/c1-30-16-8-10(7-15(17(16)24)23(28)29)6-11-4-5-22-18(11)21-14-9-12(20(26)27)2-3-13(14)19(22)25/h2-3,6-9,24H,4-5H2,1H3,(H,26,27)/p-2/b11-6+