2-[2-azanyl-1,3-bis(ethoxycarbonyl)azulen-6-yl]-N,N-diethoxy-1-oxidanylidene-ethanamine oxide

Systemtic Name: 2-[2-azanyl-1,3-bis(ethoxycarbonyl)azulen-6-yl]-N,N-diethoxy-1-oxidanylidene-ethanamine oxide Openeye Name: 2-[2-amino-1,3-bis(ethoxycarbonyl)azulen-6-yl]-N,N-diethoxy-1-oxo-ethanamine oxide CAS Name: 2-[2-amino-1,3-bis(ethoxycarbonyl)-6-azulenyl]-N,N-diethoxy-1-oxoethanamine oxide IUPAC Name: 2-[2-amino-1,3-bis(ethoxycarbonyl)azulen-6-yl]-N,N-diethoxy-1-oxoethanamine oxide Traditional Name: 2-(2-amino-1,3-dicarbethoxy-azulen-6-yl)-N,N-diethoxy-1-keto-ethanamine oxide Formula: C22H28N2O8 MolecularWeight: 448.46632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC(=CC=C2C(=C1N)C(=O)OCC)CC(=O)[N+]([O-])(OCC)OCC

Isomeric SMILES

CCOC(=O)C1=C2C=CC(=CC=C2C(=C1N)C(=O)OCC)CC(=O)[N+]([O-])(OCC)OCC

InChI

InChI=1S/C22H28N2O8/c1-5-29-21(26)18-15-11-9-14(13-17(25)24(28,31-7-3)32-8-4)10-12-16(15)19(20(18)23)22(27)30-6-2/h9-12H,5-8,13,23H2,1-4H3