[1-(5-bromanyl-1-methyl-indol-3-yl)-2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl]phosphonic acid

Systemtic Name: [1-(5-bromanyl-1-methyl-indol-3-yl)-2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl]phosphonic acid Openeye Name: [1-(5-bromo-1-methyl-indol-3-yl)-2-(2-naphthylamino)-2-oxo-ethyl]phosphonic acid CAS Name: [1-(5-bromo-1-methyl-3-indolyl)-2-(2-naphthalenylamino)-2-oxoethyl]phosphonic acid IUPAC Name: [1-(5-bromo-1-methylindol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid Traditional Name: [1-(5-bromo-1-methyl-indol-3-yl)-2-keto-2-(2-naphthylamino)ethyl]phosphonic acid Formula: C21H18BrN2O4P MolecularWeight: 473.256381

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)Br)C(C(=O)NC3=CC4=CC=CC=C4C=C3)P(=O)(O)O

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)Br)C(C(=O)NC3=CC4=CC=CC=C4C=C3)P(=O)(O)O

InChI

InChI=1S/C21H18BrN2O4P/c1-24-12-18(17-11-15(22)7-9-19(17)24)20(29(26,27)28)21(25)23-16-8-6-13-4-2-3-5-14(13)10-16/h2-12,20H,1H3,(H,23,25)(H2,26,27,28)