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

Systemtic Name: 4-[(2S)-3-cyclopropyl-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(2S)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(2S)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(2S)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(2S)-3-cyclopropyl-4-keto-1,2-dihydroquinazolin-2-yl]-2-methoxy-6-nitro-phenolate Formula: C18H16N3O5- MolecularWeight: 354.33674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])[C@H]2NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C18H17N3O5/c1-26-15-9-10(8-14(16(15)22)21(24)25)17-19-13-5-3-2-4-12(13)18(23)20(17)11-6-7-11/h2-5,8-9,11,17,19,22H,6-7H2,1H3/p-1/t17-/m0/s1