3-phosphonooxypropyl (3E)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxidanylidene-indole-1-carboxylate

Systemtic Name: 3-phosphonooxypropyl (3E)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxidanylidene-indole-1-carboxylate Openeye Name: 3-phosphonooxypropyl (3E)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-2-oxo-indoline-1-carboxylate CAS Name: (3E)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1-indolecarboxylic acid 3-phosphonooxypropyl ester IUPAC Name: 3-phosphonooxypropyl (3E)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carboxylate Traditional Name: (3E)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-2-keto-indoline-1-carboxylic acid 3-phosphonooxypropyl ester Formula: C19H21N2O7P MolecularWeight: 420.353001

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C=C2C3=CC=CC=C3N(C2=O)C(=O)OCCCOP(=O)(O)O)C

Isomeric SMILES

CC1=CC(=C(N1)/C=C/2\C3=CC=CC=C3N(C2=O)C(=O)OCCCOP(=O)(O)O)C

InChI

InChI=1S/C19H21N2O7P/c1-12-10-13(2)20-16(12)11-15-14-6-3-4-7-17(14)21(18(15)22)19(23)27-8-5-9-28-29(24,25)26/h3-4,6-7,10-11,20H,5,8-9H2,1-2H3,(H2,24,25,26)/b15-11+