5-diethoxyphosphoryloxy-4-methoxy-2-methoxycarbonyl-3,6-dihydropyrrolo[3,2-e]indole-8-carboxylic acid

Systemtic Name: 5-diethoxyphosphoryloxy-4-methoxy-2-methoxycarbonyl-3,6-dihydropyrrolo[3,2-e]indole-8-carboxylic acid Openeye Name: 5-diethoxyphosphoryloxy-4-methoxy-2-methoxycarbonyl-3,6-dihydropyrrolo[3,2-e]indole-8-carboxylic acid CAS Name: 5-diethoxyphosphoryloxy-4-methoxy-2-methoxycarbonyl-3,6-dihydropyrrolo[3,2-e]indole-8-carboxylic acid IUPAC Name: 5-diethoxyphosphoryloxy-4-methoxy-2-methoxycarbonyl-3,6-dihydropyrrolo[3,2-e]indole-8-carboxylic acid Traditional Name: 2-carbomethoxy-5-diethoxyphosphoryloxy-4-methoxy-3,6-dihydropyrrol[3,2-e]indole-8-carboxylic acid Formula: C18H21N2O9P MolecularWeight: 440.341101

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCC)OC1=C2C(=C3C=C(NC3=C1OC)C(=O)OC)C(=CN2)C(=O)O

Isomeric SMILES

CCOP(=O)(OCC)OC1=C2C(=C3C=C(NC3=C1OC)C(=O)OC)C(=CN2)C(=O)O

InChI

InChI=1S/C18H21N2O9P/c1-5-27-30(24,28-6-2)29-16-14-12(10(8-19-14)17(21)22)9-7-11(18(23)26-4)20-13(9)15(16)25-3/h7-8,19-20H,5-6H2,1-4H3,(H,21,22)