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

Systemtic Name: 9-methyl-3-nitro-benzo[b][1]benzoxepine-6-carboxylic acid Openeye Name: 9-methyl-3-nitro-benzo[b][1]benzoxepine-6-carboxylic acid CAS Name: 9-methyl-3-nitro-6-benzo[b][1]benzoxepincarboxylic acid IUPAC Name: 9-methyl-3-nitrobenzo[b][1]benzoxepine-6-carboxylic acid Traditional Name: 9-methyl-3-nitro-benzo[b][1]benzoxepin-6-carboxylic acid Formula: C16H11NO5 MolecularWeight: 297.26224

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C16H11NO5/c1-9-2-4-12-13(16(18)19)8-10-7-11(17(20)21)3-5-14(10)22-15(12)6-9/h2-8H,1H3,(H,18,19)