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

Systemtic Name: methyl 9-methyl-3-nitro-benzo[b][1]benzoxepine-6-carboxylate Openeye Name: methyl 9-methyl-3-nitro-benzo[b][1]benzoxepine-6-carboxylate CAS Name: 9-methyl-3-nitro-6-benzo[b][1]benzoxepincarboxylic acid methyl ester IUPAC Name: methyl 9-methyl-3-nitrobenzo[b][1]benzoxepine-6-carboxylate Traditional Name: 9-methyl-3-nitro-benzo[b][1]benzoxepin-6-carboxylic acid methyl ester Formula: C17H13NO5 MolecularWeight: 311.28882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC3=C(O2)C=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC3=C(O2)C=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H13NO5/c1-10-3-5-13-14(17(19)22-2)9-11-8-12(18(20)21)4-6-15(11)23-16(13)7-10/h3-9H,1-2H3