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

Systemtic Name: 2-[2-azanyl-1,3-bis(ethoxycarbonyl)azulen-6-yl]-N-(dimethylamino)-N-ethoxy-1-oxidanylidene-ethanamine oxide Openeye Name: 2-[2-amino-1,3-bis(ethoxycarbonyl)azulen-6-yl]-N-(dimethylamino)-N-ethoxy-1-oxo-ethanamine oxide CAS Name: 2-[2-amino-1,3-bis(ethoxycarbonyl)-6-azulenyl]-N-(dimethylamino)-N-ethoxy-1-oxoethanamine oxide IUPAC Name: 2-[2-amino-1,3-bis(ethoxycarbonyl)azulen-6-yl]-N-(dimethylamino)-N-ethoxy-1-oxoethanamine oxide Traditional Name: 2-(2-amino-1,3-dicarbethoxy-azulen-6-yl)-N-(dimethylamino)-N-ethoxy-1-keto-ethanamine oxide Formula: C22H29N3O7 MolecularWeight: 447.48156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O7/c1-6-30-21(27)18-15-11-9-14(13-17(26)25(29,24(4)5)32-8-3)10-12-16(15)19(20(18)23)22(28)31-7-2/h9-12H,6-8,13,23H2,1-5H3