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

Systemtic Name: 2-nitro-4-[(2S)-4-oxidanylidene-3-propyl-1,2-dihydroquinazolin-2-yl]phenolate Openeye Name: 2-nitro-4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]phenolate CAS Name: 2-nitro-4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]phenolate IUPAC Name: 2-nitro-4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]phenolate Traditional Name: 4-[(2S)-4-keto-3-propyl-1,2-dihydroquinazolin-2-yl]-2-nitro-phenolate Formula: C17H16N3O4- MolecularWeight: 326.32664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O4/c1-2-9-19-16(11-7-8-15(21)14(10-11)20(23)24)18-13-6-4-3-5-12(13)17(19)22/h3-8,10,16,18,21H,2,9H2,1H3/p-1/t16-/m0/s1