methyl 2-[(5-nitrofuran-2-yl)carbonylamino]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[(5-nitrofuran-2-yl)carbonylamino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[(5-nitrofuran-2-carbonyl)amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[(5-nitro-2-furanyl)-oxomethyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5-nitrofuran-2-carbonyl)amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 1-keto-2-[(5-nitro-2-furoyl)amino]isoquinoline-4-carboxylic acid methyl ester Formula: C16H11N3O7 MolecularWeight: 357.27444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O7/c1-25-16(22)11-8-18(15(21)10-5-3-2-4-9(10)11)17-14(20)12-6-7-13(26-12)19(23)24/h2-8H,1H3,(H,17,20)