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

Systemtic Name: [2-[2-azanyl-1,3-bis(ethoxycarbonyl)azulen-6-yl]ethanoylamino]oxymethylphosphonic acid Openeye Name: [[2-[2-amino-1,3-bis(ethoxycarbonyl)azulen-6-yl]acetyl]amino]oxymethylphosphonic acid CAS Name: [[2-[2-amino-1,3-bis(ethoxycarbonyl)-6-azulenyl]-1-oxoethyl]amino]oxymethylphosphonic acid IUPAC Name: [[2-[2-amino-1,3-bis(ethoxycarbonyl)azulen-6-yl]acetyl]amino]oxymethylphosphonic acid Traditional Name: [[2-(2-amino-1,3-dicarbethoxy-azulen-6-yl)acetyl]amino]oxymethylphosphonic acid Formula: C19H23N2O9P MolecularWeight: 454.367681

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC(=CC=C2C(=C1N)C(=O)OCC)CC(=O)NOCP(=O)(O)O

Isomeric SMILES

CCOC(=O)C1=C2C=CC(=CC=C2C(=C1N)C(=O)OCC)CC(=O)NOCP(=O)(O)O

InChI

InChI=1S/C19H23N2O9P/c1-3-28-18(23)15-12-7-5-11(9-14(22)21-30-10-31(25,26)27)6-8-13(12)16(17(15)20)19(24)29-4-2/h5-8H,3-4,9-10,20H2,1-2H3,(H,21,22)(H2,25,26,27)