[2-ethoxy-4-[(E)-[2-(4-nitrophenyl)-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl]iminomethyl]phenyl] furan-2-carboxylate

Systemtic Name: [2-ethoxy-4-[(E)-[2-(4-nitrophenyl)-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl]iminomethyl]phenyl] furan-2-carboxylate Openeye Name: [2-ethoxy-4-[(E)-[2-(4-nitrophenyl)-4-oxo-4aH-quinazolin-3-ium-3-yl]iminomethyl]phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [2-ethoxy-4-[(E)-[2-(4-nitrophenyl)-4-oxo-4aH-quinazolin-3-ium-3-yl]iminomethyl]phenyl] ester IUPAC Name: [2-ethoxy-4-[(E)-[2-(4-nitrophenyl)-4-oxo-4aH-quinazolin-3-ium-3-yl]iminomethyl]phenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [2-ethoxy-4-[(E)-[4-keto-2-(4-nitrophenyl)-4aH-quinazolin-3-ium-3-yl]iminomethyl]phenyl] ester Formula: C28H21N4O7+ MolecularWeight: 525.48894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=N[N+]2=C(N=C3C=CC=CC3C2=O)C4=CC=C(C=C4)[N+](=O)[O-])OC(=O)C5=CC=CO5

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/[N+]2=C(N=C3C=CC=CC3C2=O)C4=CC=C(C=C4)[N+](=O)[O-])OC(=O)C5=CC=CO5

InChI

InChI=1S/C28H21N4O7/c1-2-37-25-16-18(9-14-23(25)39-28(34)24-8-5-15-38-24)17-29-31-26(19-10-12-20(13-11-19)32(35)36)30-22-7-4-3-6-21(22)27(31)33/h3-17,21H,2H2,1H3/q+1/b29-17+