2-nitro-N-(3-oxidanylpropyl)benzo[b][1]benzoxepine-4-carboxamide

Systemtic Name: 2-nitro-N-(3-oxidanylpropyl)benzo[b][1]benzoxepine-4-carboxamide Openeye Name: N-(3-hydroxypropyl)-2-nitro-benzo[b][1]benzoxepine-4-carboxamide CAS Name: N-(3-hydroxypropyl)-2-nitro-4-benzo[b][1]benzoxepincarboxamide IUPAC Name: N-(3-hydroxypropyl)-2-nitrobenzo[b][1]benzoxepine-4-carboxamide Traditional Name: N-(3-hydroxypropyl)-2-nitro-benzo[b][1]benzoxepin-4-carboxamide Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O5/c21-9-3-8-19-18(22)15-10-13(20(23)24)11-17-14(15)7-6-12-4-1-2-5-16(12)25-17/h1-2,4-7,10-11,21H,3,8-9H2,(H,19,22)