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

Systemtic Name: 4-chloranyl-2-nitro-6-[(2S)-4-oxidanylidene-3-propyl-1,2-dihydroquinazolin-2-yl]phenolate Openeye Name: 4-chloro-2-nitro-6-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]phenolate CAS Name: 4-chloro-2-nitro-6-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]phenolate IUPAC Name: 4-chloro-2-nitro-6-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]phenolate Traditional Name: 4-chloro-2-[(2S)-4-keto-3-propyl-1,2-dihydroquinazolin-2-yl]-6-nitro-phenolate Formula: C17H15ClN3O4- MolecularWeight: 360.7717

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(NC2=CC=CC=C2C1=O)C3=CC(=CC(=C3[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CCCN1[C@H](NC2=CC=CC=C2C1=O)C3=CC(=CC(=C3[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C17H16ClN3O4/c1-2-7-20-16(19-13-6-4-3-5-11(13)17(20)23)12-8-10(18)9-14(15(12)22)21(24)25/h3-6,8-9,16,19,22H,2,7H2,1H3/p-1/t16-/m0/s1