(2S)-3-[(2R)-butan-2-yl]-2-(4-ethyl-3-nitro-phenyl)-1,2-dihydroquinazolin-4-one

Systemtic Name: (2S)-3-[(2R)-butan-2-yl]-2-(4-ethyl-3-nitro-phenyl)-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-2-(4-ethyl-3-nitro-phenyl)-3-[(1R)-1-methylpropyl]-1,2-dihydroquinazolin-4-one CAS Name: (2S)-3-[(2R)-butan-2-yl]-2-(4-ethyl-3-nitrophenyl)-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-3-[(2R)-butan-2-yl]-2-(4-ethyl-3-nitrophenyl)-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-2-(4-ethyl-3-nitro-phenyl)-3-[(1R)-1-methylpropyl]-1,2-dihydroquinazolin-4-one Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2C(C)CC)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)[C@H]2NC3=CC=CC=C3C(=O)N2[C@H](C)CC)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O3/c1-4-13(3)22-19(21-17-9-7-6-8-16(17)20(22)24)15-11-10-14(5-2)18(12-15)23(25)26/h6-13,19,21H,4-5H2,1-3H3/t13-,19+/m1/s1