2-methylpropyl 5-nitro-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: 2-methylpropyl 5-nitro-4-oxidanylidene-chromene-2-carboxylate Openeye Name: isobutyl 5-nitro-4-oxo-chromene-2-carboxylate CAS Name: 5-nitro-4-oxo-1-benzopyran-2-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5-nitro-4-oxochromene-2-carboxylate Traditional Name: 4-keto-5-nitro-chromene-2-carboxylic acid isobutyl ester Formula: C14H13NO6 MolecularWeight: 291.25612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC(=O)C2=C(C=CC=C2O1)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC(=O)C1=CC(=O)C2=C(C=CC=C2O1)[N+](=O)[O-]

InChI

InChI=1S/C14H13NO6/c1-8(2)7-20-14(17)12-6-10(16)13-9(15(18)19)4-3-5-11(13)21-12/h3-6,8H,7H2,1-2H3