6-iodanyl-3-(4-methyl-2-nitro-phenyl)-2-[(E)-2-naphthalen-1-ylethenyl]quinazolin-4-one

Systemtic Name: 6-iodanyl-3-(4-methyl-2-nitro-phenyl)-2-[(E)-2-naphthalen-1-ylethenyl]quinazolin-4-one Openeye Name: 6-iodo-3-(4-methyl-2-nitro-phenyl)-2-[(E)-2-(1-naphthyl)vinyl]quinazolin-4-one CAS Name: 6-iodo-3-(4-methyl-2-nitrophenyl)-2-[(E)-2-(1-naphthalenyl)ethenyl]-4-quinazolinone IUPAC Name: 6-iodo-3-(4-methyl-2-nitrophenyl)-2-[(E)-2-naphthalen-1-ylethenyl]quinazolin-4-one Traditional Name: 6-iodo-3-(4-methyl-2-nitro-phenyl)-2-[(E)-2-(1-naphthyl)vinyl]quinazolin-4-one Formula: C27H18IN3O3 MolecularWeight: 559.35459

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)C=CC4=CC=CC5=CC=CC=C54)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)/C=C/C4=CC=CC5=CC=CC=C54)[N+](=O)[O-]

InChI

InChI=1S/C27H18IN3O3/c1-17-9-13-24(25(15-17)31(33)34)30-26(29-23-12-11-20(28)16-22(23)27(30)32)14-10-19-7-4-6-18-5-2-3-8-21(18)19/h2-16H,1H3/b14-10+