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

Systemtic Name: N-[2-[2-azanyl-1,3-bis(ethoxycarbonyl)azulen-6-yl]ethanoyl]-N-ethoxy-pyrrolidin-1-amine oxide Openeye Name: N-[2-[2-amino-1,3-bis(ethoxycarbonyl)azulen-6-yl]acetyl]-N-ethoxy-pyrrolidin-1-amine oxide CAS Name: N-[2-[2-amino-1,3-bis(ethoxycarbonyl)-6-azulenyl]-1-oxoethyl]-N-ethoxy-1-pyrrolidinamine oxide IUPAC Name: N-[2-[2-amino-1,3-bis(ethoxycarbonyl)azulen-6-yl]acetyl]-N-ethoxypyrrolidin-1-amine oxide Traditional Name: N-[2-(2-amino-1,3-dicarbethoxy-azulen-6-yl)acetyl]-N-ethoxy-pyrrolidin-1-amine oxide Formula: C24H31N3O7 MolecularWeight: 473.51884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC(=CC=C2C(=C1N)C(=O)OCC)CC(=O)[N+](N3CCCC3)([O-])OCC

Isomeric SMILES

CCOC(=O)C1=C2C=CC(=CC=C2C(=C1N)C(=O)OCC)CC(=O)[N+](N3CCCC3)([O-])OCC

InChI

InChI=1S/C24H31N3O7/c1-4-32-23(29)20-17-11-9-16(10-12-18(17)21(22(20)25)24(30)33-5-2)15-19(28)27(31,34-6-3)26-13-7-8-14-26/h9-12H,4-8,13-15,25H2,1-3H3