N-(2-hydroxyethyl)-2-nitro-benzo[b][1]benzoxepine-4-carboxamide

Systemtic Name: N-(2-hydroxyethyl)-2-nitro-benzo[b][1]benzoxepine-4-carboxamide Openeye Name: N-(2-hydroxyethyl)-2-nitro-benzo[b][1]benzoxepine-4-carboxamide CAS Name: N-(2-hydroxyethyl)-2-nitro-4-benzo[b][1]benzoxepincarboxamide IUPAC Name: N-(2-hydroxyethyl)-2-nitrobenzo[b][1]benzoxepine-4-carboxamide Traditional Name: N-(2-hydroxyethyl)-2-nitro-benzo[b][1]benzoxepin-4-carboxamide Formula: C17H14N2O5 MolecularWeight: 326.30346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C(O2)C=C(C=C3C(=O)NCCO)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C(O2)C=C(C=C3C(=O)NCCO)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O5/c20-8-7-18-17(21)14-9-12(19(22)23)10-16-13(14)6-5-11-3-1-2-4-15(11)24-16/h1-6,9-10,20H,7-8H2,(H,18,21)