N-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-5,6,7-trimethoxy-1H-indole-2-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-5,6,7-trimethoxy-1H-indole-2-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-5,6,7-trimethoxy-1H-indole-2-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-5,6,7-trimethoxy-1H-indole-2-carboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-5,6,7-trimethoxy-1H-indole-2-carboxamide Traditional Name: N-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-5,6,7-trimethoxy-1H-indole-2-carboxamide Formula: C21H21N3O7 MolecularWeight: 427.40734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)C=C(N2)C(=O)NCC(=O)NC3=CC4=C(C=C3)OCO4)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)C=C(N2)C(=O)NCC(=O)NC3=CC4=C(C=C3)OCO4)OC)OC

InChI

InChI=1S/C21H21N3O7/c1-27-16-7-11-6-13(24-18(11)20(29-3)19(16)28-2)21(26)22-9-17(25)23-12-4-5-14-15(8-12)31-10-30-14/h4-8,24H,9-10H2,1-3H3,(H,22,26)(H,23,25)