[2-[2-azanyl-1,3-bis(ethoxycarbonyl)azulen-6-yl]ethanoyl-methyl-amino]oxymethylphosphonic acid

Systemtic Name: [2-[2-azanyl-1,3-bis(ethoxycarbonyl)azulen-6-yl]ethanoyl-methyl-amino]oxymethylphosphonic acid Openeye Name: [[2-[2-amino-1,3-bis(ethoxycarbonyl)azulen-6-yl]acetyl]-methyl-amino]oxymethylphosphonic acid CAS Name: [[2-[2-amino-1,3-bis(ethoxycarbonyl)-6-azulenyl]-1-oxoethyl]-methylamino]oxymethylphosphonic acid IUPAC Name: [[2-[2-amino-1,3-bis(ethoxycarbonyl)azulen-6-yl]acetyl]-methylamino]oxymethylphosphonic acid Traditional Name: [[2-(2-amino-1,3-dicarbethoxy-azulen-6-yl)acetyl]-methyl-amino]oxymethylphosphonic acid Formula: C20H25N2O9P MolecularWeight: 468.394261

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC(=CC=C2C(=C1N)C(=O)OCC)CC(=O)N(C)OCP(=O)(O)O

Isomeric SMILES

CCOC(=O)C1=C2C=CC(=CC=C2C(=C1N)C(=O)OCC)CC(=O)N(C)OCP(=O)(O)O

InChI

InChI=1S/C20H25N2O9P/c1-4-29-19(24)16-13-8-6-12(10-15(23)22(3)31-11-32(26,27)28)7-9-14(13)17(18(16)21)20(25)30-5-2/h6-9H,4-5,10-11,21H2,1-3H3,(H2,26,27,28)