N-[2-[2-azanyl-1,3-bis(ethoxycarbonyl)azulen-6-yl]ethanoyl]-N-ethoxy-morpholin-4-amine oxide

Systemtic Name: N-[2-[2-azanyl-1,3-bis(ethoxycarbonyl)azulen-6-yl]ethanoyl]-N-ethoxy-morpholin-4-amine oxide Openeye Name: N-[2-[2-amino-1,3-bis(ethoxycarbonyl)azulen-6-yl]acetyl]-N-ethoxy-morpholin-4-amine oxide CAS Name: N-[2-[2-amino-1,3-bis(ethoxycarbonyl)-6-azulenyl]-1-oxoethyl]-N-ethoxy-4-morpholinamine oxide IUPAC Name: N-[2-[2-amino-1,3-bis(ethoxycarbonyl)azulen-6-yl]acetyl]-N-ethoxymorpholin-4-amine oxide Traditional Name: N-[2-(2-amino-1,3-dicarbethoxy-azulen-6-yl)acetyl]-N-ethoxy-morpholin-4-amine oxide Formula: C24H31N3O8 MolecularWeight: 489.51824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC(=CC=C2C(=C1N)C(=O)OCC)CC(=O)[N+](N3CCOCC3)([O-])OCC

Isomeric SMILES

CCOC(=O)C1=C2C=CC(=CC=C2C(=C1N)C(=O)OCC)CC(=O)[N+](N3CCOCC3)([O-])OCC

InChI

InChI=1S/C24H31N3O8/c1-4-33-23(29)20-17-9-7-16(8-10-18(17)21(22(20)25)24(30)34-5-2)15-19(28)27(31,35-6-3)26-11-13-32-14-12-26/h7-10H,4-6,11-15,25H2,1-3H3