methyl 9-ethyl-3-nitro-benzo[b][1]benzoxepine-6-carboxylate

Systemtic Name: methyl 9-ethyl-3-nitro-benzo[b][1]benzoxepine-6-carboxylate Openeye Name: methyl 9-ethyl-3-nitro-benzo[b][1]benzoxepine-6-carboxylate CAS Name: 9-ethyl-3-nitro-6-benzo[b][1]benzoxepincarboxylic acid methyl ester IUPAC Name: methyl 9-ethyl-3-nitrobenzo[b][1]benzoxepine-6-carboxylate Traditional Name: 9-ethyl-3-nitro-benzo[b][1]benzoxepin-6-carboxylic acid methyl ester Formula: C18H15NO5 MolecularWeight: 325.3154

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC3=C(O2)C=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC3=C(O2)C=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H15NO5/c1-3-11-4-6-14-15(18(20)23-2)10-12-9-13(19(21)22)5-7-16(12)24-17(14)8-11/h4-10H,3H2,1-2H3