3-[(3,5-dimethyl-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-[(3,5-dimethyl-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-[(3,5-dimethyl-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-[(3,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-9-oxo-2,4-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate IUPAC Name: 3-[(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-9-oxo-2,4-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: 9-keto-3-[(4-keto-3,5-dimethyl-cyclohexa-2,5-dien-1-ylidene)methyl]-2,4-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Formula: C21H17N2O4- MolecularWeight: 361.37068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C3NC4=C(C=CC(=C4)C(=O)[O-])C(=O)N3CC2)C=C(C1=O)C

Isomeric SMILES

CC1=CC(=CC2=C3NC4=C(C=CC(=C4)C(=O)[O-])C(=O)N3CC2)C=C(C1=O)C

InChI

InChI=1S/C21H18N2O4/c1-11-7-13(8-12(2)18(11)24)9-14-5-6-23-19(14)22-17-10-15(21(26)27)3-4-16(17)20(23)25/h3-4,7-10,22H,5-6H2,1-2H3,(H,26,27)/p-1