7-chloranyl-6-nitro-4-oxidanylidene-1-propan-2-yl-quinoline-3-carboxylate

Systemtic Name: 7-chloranyl-6-nitro-4-oxidanylidene-1-propan-2-yl-quinoline-3-carboxylate Openeye Name: 7-chloro-1-isopropyl-6-nitro-4-oxo-quinoline-3-carboxylate CAS Name: 7-chloro-6-nitro-4-oxo-1-propan-2-yl-3-quinolinecarboxylate IUPAC Name: 7-chloro-6-nitro-4-oxo-1-propan-2-ylquinoline-3-carboxylate Traditional Name: 7-chloro-1-isopropyl-4-keto-6-nitro-quinoline-3-carboxylate Formula: C13H10ClN2O5- MolecularWeight: 309.6819

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C(=O)C2=CC(=C(C=C21)Cl)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)N1C=C(C(=O)C2=CC(=C(C=C21)Cl)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H11ClN2O5/c1-6(2)15-5-8(13(18)19)12(17)7-3-11(16(20)21)9(14)4-10(7)15/h3-6H,1-2H3,(H,18,19)/p-1