3-[(3-chloranyl-5-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-9-oxidanylidene-2,4-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate

Systemtic Name: 3-[(3-chloranyl-5-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-9-oxidanylidene-2,4-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: 3-[(3-chloro-5-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-9-oxo-2,4-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate CAS Name: 3-[(3-chloro-5-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-9-oxo-2,4-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate IUPAC Name: 3-[(3-chloro-5-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-9-oxo-2,4-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: 3-[(3-chloro-5-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-9-keto-2,4-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Formula: C21H16ClN2O5- MolecularWeight: 411.81514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC2=C3NC4=C(C=CC(=C4)C(=O)[O-])C(=O)N3CC2)C=C(C1=O)Cl

Isomeric SMILES

CCOC1=CC(=CC2=C3NC4=C(C=CC(=C4)C(=O)[O-])C(=O)N3CC2)C=C(C1=O)Cl

InChI

InChI=1S/C21H17ClN2O5/c1-2-29-17-9-11(8-15(22)18(17)25)7-12-5-6-24-19(12)23-16-10-13(21(27)28)3-4-14(16)20(24)26/h3-4,7-10,23H,2,5-6H2,1H3,(H,27,28)/p-1