methyl 7-nitro-2-oxidanylidene-3H-1-benzoxepine-4-carboxylate

Systemtic Name: methyl 7-nitro-2-oxidanylidene-3H-1-benzoxepine-4-carboxylate Openeye Name: methyl 7-nitro-2-oxo-3H-1-benzoxepine-4-carboxylate CAS Name: 7-nitro-2-oxo-3H-1-benzoxepin-4-carboxylic acid methyl ester IUPAC Name: methyl 7-nitro-2-oxo-3H-1-benzoxepine-4-carboxylate Traditional Name: 2-keto-7-nitro-3H-1-benzoxepin-4-carboxylic acid methyl ester Formula: C12H9NO6 MolecularWeight: 263.20296

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])OC(=O)C1

Isomeric SMILES

COC(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])OC(=O)C1

InChI

InChI=1S/C12H9NO6/c1-18-12(15)8-4-7-5-9(13(16)17)2-3-10(7)19-11(14)6-8/h2-5H,6H2,1H3