methyl 3-nitro-5-[[1,3,4-tris(oxidanylidene)isoquinolin-5-yl]carbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[[1,3,4-tris(oxidanylidene)isoquinolin-5-yl]carbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[(1,3,4-trioxo-5-isoquinolyl)carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[(1,3,4-trioxo-5-isoquinolinyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[(1,3,4-trioxoisoquinolin-5-yl)carbamoyl]benzoate Traditional Name: 3-nitro-5-[(1,3,4-triketo-5-isoquinolyl)carbamoyl]benzoic acid methyl ester Formula: C18H11N3O8 MolecularWeight: 397.29524

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC3=C2C(=O)C(=O)NC3=O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC3=C2C(=O)C(=O)NC3=O)[N+](=O)[O-]

InChI

InChI=1S/C18H11N3O8/c1-29-18(26)9-5-8(6-10(7-9)21(27)28)15(23)19-12-4-2-3-11-13(12)14(22)17(25)20-16(11)24/h2-7H,1H3,(H,19,23)(H,20,24,25)