4-[(2S)-6-nitro-4-oxidanylidene-2,3-dihydro-1H-quinazolin-2-yl]benzenecarbonitrile

Systemtic Name: 4-[(2S)-6-nitro-4-oxidanylidene-2,3-dihydro-1H-quinazolin-2-yl]benzenecarbonitrile Openeye Name: 4-[(2S)-6-nitro-4-oxo-2,3-dihydro-1H-quinazolin-2-yl]benzonitrile CAS Name: 4-[(2S)-6-nitro-4-oxo-2,3-dihydro-1H-quinazolin-2-yl]benzonitrile IUPAC Name: 4-[(2S)-6-nitro-4-oxo-2,3-dihydro-1H-quinazolin-2-yl]benzonitrile Traditional Name: 4-[(2S)-4-keto-6-nitro-2,3-dihydro-1H-quinazolin-2-yl]benzonitrile Formula: C15H10N4O3 MolecularWeight: 294.2649

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2

Isomeric SMILES

C1=CC(=CC=C1C#N)[C@H]2NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2

InChI

InChI=1S/C15H10N4O3/c16-8-9-1-3-10(4-2-9)14-17-13-6-5-11(19(21)22)7-12(13)15(20)18-14/h1-7,14,17H,(H,18,20)/t14-/m0/s1