(3E)-3-[(4-methoxycarbonylphenyl)methylidene]-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate

Systemtic Name: (3E)-3-[(4-methoxycarbonylphenyl)methylidene]-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: (3E)-3-[(4-methoxycarbonylphenyl)methylene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate CAS Name: (3E)-3-[(4-methoxycarbonylphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate IUPAC Name: (3E)-3-[(4-methoxycarbonylphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: (3E)-3-(4-carbomethoxybenzylidene)-9-keto-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Formula: C21H15N2O5- MolecularWeight: 375.3542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C2CCN3C2=NC4=C(C3=O)C=CC(=C4)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H16N2O5/c1-28-21(27)13-4-2-12(3-5-13)10-14-8-9-23-18(14)22-17-11-15(20(25)26)6-7-16(17)19(23)24/h2-7,10-11H,8-9H2,1H3,(H,25,26)/p-1/b14-10+