(2S)-3-(3-methylphenyl)-2-(3-nitro-4-oxidanyl-phenyl)-1,2-dihydroquinazolin-4-one

Systemtic Name: (2S)-3-(3-methylphenyl)-2-(3-nitro-4-oxidanyl-phenyl)-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-2-(4-hydroxy-3-nitro-phenyl)-3-(m-tolyl)-1,2-dihydroquinazolin-4-one CAS Name: (2S)-2-(4-hydroxy-3-nitrophenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-2-(4-hydroxy-3-nitrophenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-2-(4-hydroxy-3-nitro-phenyl)-3-(m-tolyl)-1,2-dihydroquinazolin-4-one Formula: C21H17N3O4 MolecularWeight: 375.37738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2[C@H](NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)O)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O4/c1-13-5-4-6-15(11-13)23-20(14-9-10-19(25)18(12-14)24(27)28)22-17-8-3-2-7-16(17)21(23)26/h2-12,20,22,25H,1H3/t20-/m0/s1