(2S)-2-(3-nitro-4-pyrrolidin-1-yl-phenyl)-2,3-dihydro-1H-quinazolin-4-one

Systemtic Name: (2S)-2-(3-nitro-4-pyrrolidin-1-yl-phenyl)-2,3-dihydro-1H-quinazolin-4-one Openeye Name: (2S)-2-(3-nitro-4-pyrrolidin-1-yl-phenyl)-2,3-dihydro-1H-quinazolin-4-one CAS Name: (2S)-2-[3-nitro-4-(1-pyrrolidinyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one IUPAC Name: (2S)-2-(3-nitro-4-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-quinazolin-4-one Traditional Name: (2S)-2-(3-nitro-4-pyrrolidino-phenyl)-2,3-dihydro-1H-quinazolin-4-one Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C3NC4=CC=CC=C4C(=O)N3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[C@H]3NC4=CC=CC=C4C(=O)N3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O3/c23-18-13-5-1-2-6-14(13)19-17(20-18)12-7-8-15(16(11-12)22(24)25)21-9-3-4-10-21/h1-2,5-8,11,17,19H,3-4,9-10H2,(H,20,23)/t17-/m0/s1