3-(4-chloranyl-2-methyl-phenyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]-4aH-quinazolin-3-ium-4-one

Systemtic Name: 3-(4-chloranyl-2-methyl-phenyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]-4aH-quinazolin-3-ium-4-one Openeye Name: 3-(4-chloro-2-methyl-phenyl)-2-[(E)-2-(4-nitrophenyl)vinyl]-4aH-quinazolin-3-ium-4-one CAS Name: 3-(4-chloro-2-methylphenyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]-4aH-quinazolin-3-ium-4-one IUPAC Name: 3-(4-chloro-2-methylphenyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]-4aH-quinazolin-3-ium-4-one Traditional Name: 3-(4-chloro-2-methyl-phenyl)-2-[(E)-2-(4-nitrophenyl)vinyl]-4aH-quinazolin-3-ium-4-one Formula: C23H17ClN3O3+ MolecularWeight: 418.85238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)[N+]2=C(N=C3C=CC=CC3C2=O)C=CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)[N+]2=C(N=C3C=CC=CC3C2=O)/C=C/C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H17ClN3O3/c1-15-14-17(24)9-12-21(15)26-22(25-20-5-3-2-4-19(20)23(26)28)13-8-16-6-10-18(11-7-16)27(29)30/h2-14,19H,1H3/q+1/b13-8+