methyl 7-chloranyl-9-nitro-2,3-dihydro-1-benzoxepine-4-carboxylate

Systemtic Name: methyl 7-chloranyl-9-nitro-2,3-dihydro-1-benzoxepine-4-carboxylate Openeye Name: methyl 7-chloro-9-nitro-2,3-dihydro-1-benzoxepine-4-carboxylate CAS Name: 7-chloro-9-nitro-2,3-dihydro-1-benzoxepin-4-carboxylic acid methyl ester IUPAC Name: methyl 7-chloro-9-nitro-2,3-dihydro-1-benzoxepine-4-carboxylate Traditional Name: 7-chloro-9-nitro-2,3-dihydro-1-benzoxepin-4-carboxylic acid methyl ester Formula: C12H10ClNO5 MolecularWeight: 283.6645

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=CC(=CC(=C2OCC1)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)C1=CC2=CC(=CC(=C2OCC1)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H10ClNO5/c1-18-12(15)7-2-3-19-11-8(4-7)5-9(13)6-10(11)14(16)17/h4-6H,2-3H2,1H3