N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide

Systemtic Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(6-nitro-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(6-nitro-4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide Traditional Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-keto-6-nitro-quinazolin-3-yl)acetamide Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H](C)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H20N4O4/c1-12-4-5-15(8-13(12)2)14(3)22-19(25)10-23-11-21-18-7-6-16(24(27)28)9-17(18)20(23)26/h4-9,11,14H,10H2,1-3H3,(H,22,25)/t14-/m0/s1