3-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(furan-2-yl)-4aH-quinazolin-3-ium-4-one

Systemtic Name: 3-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(furan-2-yl)-4aH-quinazolin-3-ium-4-one Openeye Name: 3-[(E)-(2,3-dimethoxyphenyl)methyleneamino]-2-(2-furyl)-4aH-quinazolin-3-ium-4-one CAS Name: 3-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(2-furanyl)-4aH-quinazolin-3-ium-4-one IUPAC Name: 3-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(furan-2-yl)-4aH-quinazolin-3-ium-4-one Traditional Name: 3-[(E)-(2,3-dimethoxybenzylidene)amino]-2-(2-furyl)-4aH-quinazolin-3-ium-4-one Formula: C21H18N3O4+ MolecularWeight: 376.38532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C=N[N+]2=C(N=C3C=CC=CC3C2=O)C4=CC=CO4

Isomeric SMILES

COC1=CC=CC(=C1OC)/C=N/[N+]2=C(N=C3C=CC=CC3C2=O)C4=CC=CO4

InChI

InChI=1S/C21H18N3O4/c1-26-17-10-5-7-14(19(17)27-2)13-22-24-20(18-11-6-12-28-18)23-16-9-4-3-8-15(16)21(24)25/h3-13,15H,1-2H3/q+1/b22-13+