4-chloranyl-2-[(2S)-3-cyclopropyl-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[(2S)-3-cyclopropyl-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[(2S)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]-6-nitro-phenolate CAS Name: 4-chloro-2-[(2S)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[(2S)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]-6-nitrophenolate Traditional Name: 4-chloro-2-[(2S)-3-cyclopropyl-4-keto-1,2-dihydroquinazolin-2-yl]-6-nitro-phenolate Formula: C17H13ClN3O4- MolecularWeight: 358.75582

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(NC3=CC=CC=C3C2=O)C4=CC(=CC(=C4[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1CC1N2[C@H](NC3=CC=CC=C3C2=O)C4=CC(=CC(=C4[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C17H14ClN3O4/c18-9-7-12(15(22)14(8-9)21(24)25)16-19-13-4-2-1-3-11(13)17(23)20(16)10-5-6-10/h1-4,7-8,10,16,19,22H,5-6H2/p-1/t16-/m0/s1